SCHEMBL9713307

SCHEMBL9713307

CCCCCCCOc1ccc(C(=O)Nc2cccc(O)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.76
THRB P10828 1/20 0.64
PLK1 P53350 4/20 0.61
TP53 P04637 3/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
STAT3 P40763 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL9713595 0.89 NR1H4 (0.78) NR1H4THRBMAPTSMN1; SMN2LMNA
SCHEMBL8389461 0.88 NR1H4 (0.65) NR1H4THRBMEN1KMT2ANPC1
SCHEMBL9306724 0.86 NR1H4 (0.77) NR1H4PLK1TP53MAPTSMN1; SMN2
SCHEMBL9165641 0.86 NR1H4 (0.73) NR1H4THRBPLK1TP53MAPT
SCHEMBL7828267 0.85 NR1H4 (1.00) NR1H4THRBTP53MAPTMEN1
SCHEMBL8389388 0.85 KMT2A (0.59) NR1H4THRBPLK1TP53MAPT
SCHEMBL9160995 0.85 NR1H4 (0.71) NR1H4THRBPLK1TP53MAPT
SCHEMBL641423 0.85 NR1H4 (0.71) NR1H4THRBPLK1TP53MAPT
SCHEMBL8390958 0.85 SMN1; SMN2 (0.67) NR1H4PLK1TP53MAPTSMN1; SMN2
SCHEMBL8756930 0.85 SMN1; SMN2 (0.67) NR1H4PLK1TP53MAPTSMN1; SMN2

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