SCHEMBL8039714

SCHEMBL8039714

O=C(O)c1ccccc1NC(=O)C(Oc1ccc(OC2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.45
SRD5A1 P18405 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TEAD4 Q15561 1/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
FAAH O00519 1/20 0.40
EPHX2 P34913 2/20 0.40
MRGPRX1 Q96LB2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL8039543 1.00 ABCC1 (0.45) ABCC1SRD5A1KDM4EHTTKMT2A
SCHEMBL8039706 1.00 ABCC1 (0.45) ABCC1SRD5A1KDM4EHTTKMT2A
SCHEMBL8038300 1.00 ABCC1 (0.45) ABCC1SRD5A1KDM4EHTTKMT2A
SCHEMBL8039687 0.99 SRD5A1 (0.43) ABCC1SRD5A1KDM4EHTTKMT2A
SCHEMBL8041066 0.90 TSHR (0.54) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL8037924 0.90 TSHR (0.54) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL8037888 0.89 TSHR (0.55) KDM4EHTTKMT2AALDH1A1TSHR
SCHEMBL8041280 0.88 SERPINE1 (0.46) KDM4EKMT2AALDH1A1ADRB1ADRB3
SCHEMBL8027780 0.88 ABCC1 (0.47) ABCC1SRD5A1KDM4EKMT2AMEN1
SCHEMBL8041170 0.87 KMT2A (0.47) ABCC1KDM4EKMT2AMEN1ALDH1A1

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-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed
US-5808144-A ANTIALLERGENS TEIJIN LIMITED (JP) 1998-09-15 US disclosed
EP-0806412-A1 BENZENE DERIVATIVES TEIJIN LIMITED (JP) 1997-11-12 EP disclosed