SCHEMBL8942269

SCHEMBL8942269

CCOC(=O)C1OC1c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CACNA1C Q13936 5/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
VCAM1 P19320 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 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
SCHEMBL27083890 0.80 TSHR (0.67) TSHRNPSR1POLBMAPTALDH1A1
SCHEMBL8746385 0.80 TSHR (0.67) TSHRNPSR1POLBMAPTALDH1A1
SCHEMBL8942583 0.79 TSHR (0.62) TSHRCACNA1CPOLBMAPTALDH1A1
SCHEMBL11669883 0.72 CACNA1C (0.59) TSHRCACNA1CPOLBMAPTMAPK1
SCHEMBL4420346 0.71 SMN1; SMN2 (0.64) TSHRKDM4ENPSR1POLBMAPT
SCHEMBL6978503 0.71 BCL9 (0.52) TSHRKDM4EPOLBMAPTALDH1A1
SCHEMBL11829575 0.70 ADORA3 (0.69) TSHRKDM4ENPSR1CACNA1CPOLB
SCHEMBL3340975 0.69 NPSR1 (0.52) KDM4ENPSR1POLBMAPTALDH1A1
SCHEMBL4271172 0.69 POLB (0.51) KDM4ENPSR1POLBMAPTALDH1A1
SCHEMBL873079 0.69 TSHR (0.67) TSHRKDM4EPOLBMAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569774-A Process for the preparation of chlorine-substituted olefins BASF AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
EP-0632799-B1 PROCESS FOR PRODUCING CHLORINE-SUBSTITUTED OLEFINE COMPOUNDS BASF AG (DE) 1996-10-09 EP disclosed
EP-0632799-A1 PROCESS FOR PRODUCING CHLORINE-SUBSTITUTED OLEFINE COMPOUNDS. BASF AG (DE) 1995-01-11 EP disclosed
WO-1993019034-A1 PROCESS FOR PRODUCING CHLORINE-SUBSTITUTED OLEFINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1993-09-30 WO disclosed