SCHEMBL11021671

SCHEMBL11021671

CC(C)=CCCC(C)=CC(=O)NCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.53
MAPT P10636 8/20 0.48
TDP1 Q9NUW8 8/20 0.48
KDM4E B2RXH2 8/20 0.48
ADRB2 P07550 7/20 0.48
HSD17B10 Q99714 6/20 0.48
TSHR P16473 5/20 0.48
ADRB1 P08588 4/20 0.48
MAPK1 P28482 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP1A2 P05177 4/20 0.48
HIF1A Q16665 4/20 0.48
ADRB3 P13945 3/20 0.48
MTOR P42345 3/20 0.48
CYP3A4 P08684 3/20 0.48
NFKB1 P19838 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL11022171 0.98 TRPV1 (0.54) TRPV1MAPTTDP1KDM4EADRB2
SCHEMBL11022287 0.98 TRPV1 (0.54) TRPV1MAPTTDP1KDM4EADRB2
SCHEMBL11018755 0.98 TRPV1 (0.54) TRPV1MAPTTDP1KDM4EADRB2
SCHEMBL11021728 0.98 TRPV1 (0.54) TRPV1MAPTTDP1KDM4EADRB2
SCHEMBL10780294 0.98 TRPV1 (0.54) TRPV1MAPTTDP1KDM4EADRB2
SCHEMBL10783130 0.78 TRPV1 (0.43) TRPV1MAPTTDP1KDM4EADRB2
SCHEMBL11022644 0.78 TRPV1 (0.43) TRPV1MAPTTDP1KDM4EADRB2
SCHEMBL11022643 0.78 TRPV1 (0.43) TRPV1MAPTTDP1KDM4EADRB2
SCHEMBL11020690 0.76 TRPV1 (0.41) TRPV1MAPTTDP1KDM4EADRB2
SCHEMBL11018673 0.76 TRPV1 (0.41) TRPV1MAPTTDP1KDM4EADRB2

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-4522759-A ANTIALLERGENS EISAI CO., LTD. (JP) 1985-06-11 US disclosed
EP-0091694-A1 Polyprenylcarboxylic acid amides and process for preparing the same Eisai Co., Ltd. (JP) 1983-10-19 EP disclosed