SCHEMBL9712985

SCHEMBL9712985

Cc1ccc(OCC(=O)O)c(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.56
PLK1 P53350 6/20 0.54
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 3/20 0.50
SCN5A Q14524 1/20 0.50
SCN2A Q99250 1/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PLK3 Q9H4B4 1/20 0.48
PLA2G4B P0C869 1/20 0.48
CACNA1H O95180 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL9857436 0.91 NR1H4 (0.65) NR1H4PLK1KMT2ASCN5ASCN2A
SCHEMBL9713433 0.91 NR1H4 (0.59) NR1H4ALDH1A1KMT2ASCN5ASCN2A
SCHEMBL9713032 0.91 PLK1 (0.53) NR1H4PLK1ALDH1A1KMT2ASCN5A
SCHEMBL9713529 0.90 NR1H4 (0.59) NR1H4PLK1KMT2ASCN5ASCN2A
SCHEMBL9712991 0.90 NR1H4 (0.56) NR1H4PLK1ALDH1A1KMT2ASCN5A
SCHEMBL9857614 0.89 NR1H4 (0.55) NR1H4PLK1KMT2ASCN5ASCN2A
SCHEMBL9713448 0.89 NR1H4 (0.57) NR1H4PLK1KMT2ASCN5ASCN2A
SCHEMBL9856976 0.88 NR1H4 (0.54) NR1H4PLK1KMT2ASCN5ASCN2A
SCHEMBL9857465 0.88 NR1H4 (0.54) NR1H4PLK1KMT2ASCN5ASCN2A
SCHEMBL9857424 0.88 NR1H4 (0.56) NR1H4KMT2ASCN5ASCN2APLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US claimed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP claimed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO claimed
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 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