SCHEMBL7734892

SCHEMBL7734892

CCCCOc1c(NC=O)cc(CCCC(=O)OC)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.39
LTB4R Q15722 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PTPN1 P18031 2/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
PPARG P37231 4/20 0.36
PPARA Q07869 2/20 0.36
LTA4H P09960 2/20 0.36
SOAT1 P35610 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7735387 0.92 THRA (0.41) HDAC8KDM4ECNR2PPARGPPARA
SCHEMBL7725078 0.87 GABRA1 (0.40) HDAC8LTB4RPTPN1CNR2CNR1
SCHEMBL7735362 0.85 PTPN1 (0.39) HDAC8LTB4RKDM4EPTPN1CNR2
SCHEMBL7735407 0.83 TRPV1 (0.43) CNR2CNR1PPARGPPARA
SCHEMBL7734098 0.83 LTB4R (0.40) HDAC8LTB4RKDM4EPTPN1CNR2
SCHEMBL7735380 0.80 PTPN1 (0.44) HDAC8LTB4RKDM4EPTPN1LTA4H
SCHEMBL7735710 0.80 ALDH1A1 (0.45) LTB4RPTPN1CNR2PPARGALDH1A1
SCHEMBL7735232 0.78 THRA (0.41) HDAC8KDM4ECNR2CNR1PPARG
SCHEMBL7737564 0.78 PTPN1 (0.45) HDAC8LTB4RKDM4EPTPN1CNR2
SCHEMBL7737515 0.78 THRA (0.49) LTB4RKDM4EPTPN1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed