SCHEMBL7542333

SCHEMBL7542333

ClC(Cl)(Cl)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
LTA4H P09960 7/20 0.57
NR1H2 P55055 1/20 0.50
BAX Q07812 1/20 0.50
MAOA P21397 1/20 0.50
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
GSTP1 P09211 1/20 0.42
SOS1 Q07889 1/20 0.42
CA9 Q16790 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PLA2G2A P14555 1/20 0.42
PGR P06401 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP3 Q96P20 1/20 0.41
SRD5A2 P31213 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL11351130 0.98 TSHR (0.56) TSHRLTA4HNR1H2BAXMAOA
SCHEMBL5176426 0.90 TSHR (0.48) TSHRLTA4HNR1H2BAXMAOA
SCHEMBL21118545 0.84 LTA4H (0.55) TSHRLTA4HNR1H2BAXMAOA
SCHEMBL11745214 0.81 LTA4H (0.50) TSHRLTA4HNR1H2BAXMAOA
SCHEMBL9774400 0.80 TSHR (0.52) TSHRLTA4HNR1H2BAXMAOA
SCHEMBL7940616 0.79 ESR1 (0.64) TSHRLTA4HNR1H2BAXPARP10
SCHEMBL7938150 0.79 SOS1 (0.44) TSHRLTA4HSOS1MEN1NPC1
SCHEMBL122719 0.79 LTA4H (0.92) TSHRLTA4HNR1H2BAXMAOA
SCHEMBL22129853 0.79 LTA4H (0.92) TSHRLTA4HNR1H2BAXMAOA
SCHEMBL3893562 0.79 LTA4H (0.92) TSHRLTA4HNR1H2BAXMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0060943-B1 PARAPHENOXYBENZOTRICHLORIDE, ITS PREPARATION AND USE OCCIDENTAL CHEMICAL CORPORATION (US) 1984-06-13 EP claimed
EP-0060943-A1 Paraphenoxybenzotrichloride, its preparation and use OCCIDENTAL CHEMICAL CORPORATION (US) 1982-09-29 EP claimed
US-4268457-A Process for the preparation of paraphenoxybenzoylchloride HOOKER CHEMICALS & PLASTICS CORP. (US) 1981-05-19 US claimed
EP-1202946-A1 MOLYBDENUM TRIOXIDE CATALYZED FLUORINATION REACTIONS OCCIDENTAL CHEMICAL CORPORATION (US) 2002-05-08 EP disclosed
WO-2001012577-A1 MOLYBDENUM TRIOXIDE CATALYZED FLUORINATION REACTIONS OCCIDENTAL CHEMICAL CORPORATION (US) 2001-02-22 WO disclosed
US-6166272-A Molybdenum trioxide catalyzed fluorination reactions OCCIDENTAL CHEMICAL CORPORATION (US) 2000-12-26 US disclosed
US-5300201-A Mixing with chlorine, irradiating; selective formation of 4-chloro phthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1994-04-05 US disclosed
EP-0060943-B1 PARAPHENOXYBENZOTRICHLORIDE, ITS PREPARATION AND USE OCCIDENTAL CHEMICAL CORPORATION (US) 1984-06-13 EP disclosed
EP-0060943-B1 PARAPHENOXYBENZOTRICHLORIDE, ITS PREPARATION AND USE OCCIDENTAL CHEMICAL CORPORATION (US) 1984-06-13 EP disclosed
EP-0034718-B1 PROCESS FOR PRODUCING AROMATIC SULFONYL HALIDES BAYER AG (DE) 1983-11-23 EP disclosed
US-4399075-A Process for producing chlorinated phenoxytoluene derivatives ASAHI CHEMICAL COMPANY, LIMITED (JP) 1983-08-16 US disclosed
US-4359426-A Process for the production of aromatic isocyanates containing aromatically bound sulfochloride groups BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed
EP-0060943-A1 Paraphenoxybenzotrichloride, its preparation and use OCCIDENTAL CHEMICAL CORPORATION (US) 1982-09-29 EP disclosed
EP-0060943-A1 Paraphenoxybenzotrichloride, its preparation and use OCCIDENTAL CHEMICAL CORPORATION (US) 1982-09-29 EP disclosed
EP-0060943-A1 Paraphenoxybenzotrichloride, its preparation and use OCCIDENTAL CHEMICAL CORPORATION (US) 1982-09-29 EP disclosed
US-4349471-A Process for the preparation of aromatic sulphonic acid halides BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 US disclosed
EP-0034718-A2 Process for producing aromatic sulfonyl halides BAYER AG (DE) 1981-09-02 EP disclosed
EP-0034711-A2 Process for preparing aromatic isocyanates with aromatically bound sulfochloride groups BAYER AG (DE) 1981-09-02 EP disclosed
US-4268457-A Process for the preparation of paraphenoxybenzoylchloride HOOKER CHEMICALS & PLASTICS CORP. (US) 1981-05-19 US disclosed
US-4268457-A Process for the preparation of paraphenoxybenzoylchloride HOOKER CHEMICALS & PLASTICS CORP. (US) 1981-05-19 US disclosed