SCHEMBL4743809

SCHEMBL4743809

O=C(c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.71
MAPK1 P28482 1/20 0.63
MAPT P10636 3/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 2/20 0.62
PKM P14618 2/20 0.62
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.54
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
MEN1 O00255 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL6322177 0.89 SRD5A2 (0.79) SRD5A2MAPTHTTPKMHPGD
SCHEMBL1758320 0.86 HSD17B1 (0.61) SRD5A2MAPK1MAPTHTTLMNA
SCHEMBL333237 0.83 SRD5A2 (0.78) SRD5A2TSHRTDP1L3MBTL1MEN1
SCHEMBL8436141 0.83 SRD5A2 (1.00) SRD5A2TSHRVCAM1ALOX15
SCHEMBL8612482 0.82 SRD5A2 (0.69) SRD5A2MAPK1MAPTLMNAPKM
SCHEMBL6744294 0.82 SRD5A2 (0.63) SRD5A2MAPTPKMHPGDTSHR
SCHEMBL11272537 0.81 MAPK1 (0.50) SRD5A2MAPK1MAPTHTTLMNA
SCHEMBL11639337 0.80 SRD5A2 (0.67) SRD5A2MAPK1MAPTLMNAPKM
SCHEMBL5685231 0.80 SRD5A2 (0.67) SRD5A2MAPTHTTPKMHPGD
SCHEMBL699850 0.79 LMNA (1.00) SRD5A2MAPK1MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121331-B Phenoxy aromatic acid compounds with cyclopropyl and pharmaceutically acceptable salts thereof, and preparation methods and applications thereof 华创合成制药股份有限公司 2024-01-05 CN claimed
JP-5032776-A None JP disclosed
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed
EP-0860433-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BREWERY (JP) 2002-07-03 EP disclosed
US-6143764-A ETHER DERIVATIVES OF QUINOLINE, ANTITUMOR AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 EP disclosed
JP-H0532776-A PRODUCTION OF POLYARYL ETHER KETONE TEIJIN LTD 1993-02-09 JP disclosed