SCHEMBL9713045

SCHEMBL9713045

CCCCCCCOc1cccc(C(=O)Nc2cccc(OCC#N)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.73
THRB P10828 1/20 0.72
SMPD1 P17405 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 4/20 0.56
TSHR P16473 2/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 3/20 0.55
ADRB2 P07550 2/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAOB P27338 1/20 0.53

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
SCHEMBL9713542 0.94 NR1H4 (0.67) NR1H4THRBSMPD1SMN1; SMN2MAPT
SCHEMBL9713298 0.86 SMPD1 (0.60) NR1H4THRBSMPD1SMN1; SMN2KMT2A
SCHEMBL9713595 0.85 NR1H4 (0.78) NR1H4THRBSMPD1SMN1; SMN2MAPT
SCHEMBL9857033 0.80 NR1H4 (0.63) NR1H4THRBSMPD1SMN1; SMN2MAPT
SCHEMBL11325837 0.79 SMPD1 (0.82) NR1H4THRBSMPD1KMT2ALMNA
SCHEMBL9131621 0.79 PLK1 (0.56) NR1H4THRBSMPD1KMT2AMEN1
SCHEMBL14544616 0.78 THRB (0.65) NR1H4THRBSMPD1SMN1; SMN2MAPT
SCHEMBL31194774 0.78 SMPD1 (0.80) NR1H4THRBSMPD1KMT2AMAPK1
SCHEMBL28224821 0.78 SMPD1 (1.00) NR1H4THRBSMPD1KMT2A
SCHEMBL28225521 0.78 SMPD1 (1.00) NR1H4THRBSMPD1KMT2A

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-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed