SCHEMBL7735362

SCHEMBL7735362

CCCCOc1c(NS(C)(=O)=O)cc(CCCC(=O)OC)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
NR3C1 P04150 4/20 0.39
ADRB3 P13945 1/20 0.39
METAP2 P50579 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LTB4R Q15722 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SLC2A1 P11166 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7735380 0.95 PTPN1 (0.44) PTPN1ADRB3METAP2TRPV1CA12
SCHEMBL7734916 0.92 NR3C1 (0.44) NR3C1METAP2TRPV1KDM4ESLC2A1
SCHEMBL7734873 0.89 THRA (0.46) NR3C1KDM4E
SCHEMBL7725078 0.86 GABRA1 (0.40) PTPN1LTB4RHDAC8CNR1CNR2
SCHEMBL7734892 0.85 HDAC8 (0.39) PTPN1LTB4RKDM4EHDAC8CNR1
SCHEMBL7734098 0.83 LTB4R (0.40) PTPN1LTB4RKDM4EHDAC8CNR1
SCHEMBL7735407 0.83 TRPV1 (0.43) TRPV1CNR1CNR2HPGD
SCHEMBL7735710 0.81 ALDH1A1 (0.45) PTPN1LTB4RCNR2ALDH1A1
SCHEMBL7735232 0.78 THRA (0.41) KDM4EHDAC8CNR1CNR2ALDH1A1
SCHEMBL7725103 0.77 THRA (0.44) PTPN1TRPV1CA12CA7CA9

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