SCHEMBL7539817

SCHEMBL7539817

O=C(c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.73
ALDH1A1 P00352 3/20 0.72
HTT P42858 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
GAA P10253 2/20 0.68
MAPT P10636 2/20 0.68
RAB9A P51151 1/20 0.68
FFAR1 O14842 1/20 0.68
NR4A1 P22736 1/20 0.65
NR4A2 P43354 1/20 0.65
NR4A3 Q92570 1/20 0.65
PPARG P37231 2/20 0.63
GSTP1 P09211 1/20 0.62
PARP10 Q53GL7 2/20 0.61
MAOB P27338 1/20 0.61
PTPRC P08575 1/20 0.60
PTPN2 P17706 1/20 0.60
PTPN1 P18031 1/20 0.60
BCL2L1 Q07817 1/20 0.59

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
SCHEMBL13674456 0.93 ALDH1A1 (0.68) SRD5A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL1756343 0.90 NR4A2 (0.81) SRD5A2SMN1; SMN2RAB9AFFAR1NR4A1
SCHEMBL5582767 0.90 NR4A2 (0.81) SRD5A2SMN1; SMN2RAB9AFFAR1NR4A1
SCHEMBL3232949 0.90 SRD5A2 (0.90) SRD5A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL402300 0.88 SRD5A2 (0.87) SRD5A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL6054433 0.87 MAOB (0.82) ALDH1A1HTTSMN1; SMN2L3MBTL1MAPT
Bicarbonate SCHEMBL9638235 0.86 FFAR1 (0.71) SRD5A2FFAR1NR4A1NR4A2NR4A3
SCHEMBL3415530 0.85 SRD5A2 (0.81) SRD5A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL4949143 0.85 NR4A2 (0.90) SRD5A2SMN1; SMN2RAB9ANR4A1NR4A2
SCHEMBL27395439 0.84 RAB9A (0.68) ALDH1A1HTTSMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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