SCHEMBL7976757

SCHEMBL7976757

CCC(O)CCc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD1 P21728 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
DRD3 P35462 4/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
DRD4 P21917 1/20 0.51
DRD5 P21918 1/20 0.51
OPRK1 P41145 8/20 0.51
OPRM1 P35372 7/20 0.51
OPRD1 P41143 7/20 0.51
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL5950528 0.89 STAT3 (0.43) DRD2DRD1DRD3DRD4DRD5
SCHEMBL24261197 0.82 OPRK1 (0.55) DRD2DRD1TAAR1DRD3CHRM2
SCHEMBL3631399 0.82 TAAR1 (0.52) TAAR1
SCHEMBL7794272 0.82 DRD2 (0.61) DRD2DRD1TAAR1DRD3CHRM2
SCHEMBL15178073 0.81 ENPP2 (0.48) DRD2DRD1TAAR1DRD3CHRM2
SCHEMBL11593827 0.81 CHRM2 (0.59) DRD2DRD1TAAR1DRD3CHRM2
SCHEMBL13537805 0.81 ENPP2 (0.48) DRD2DRD1TAAR1DRD3CHRM2
SCHEMBL27945060 0.81 DRD1 (0.53) DRD2DRD1TAAR1DRD3CHRM2
SCHEMBL4572701 0.81 NPC1 (0.57) TAAR1CHRM2CHRM1CHRM3
SCHEMBL104012 0.79 OPRK1 (0.70) DRD2DRD1TAAR1DRD3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
US-5374629-A A triene steroids as anticarcinogenic agents, treating skin disorders LEO PHARMACEUTICAL PRODUCTS LTD. A/S LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1994-12-20 US disclosed
EP-0522013-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 1994-11-23 EP disclosed
EP-0522013-A1 NOVEL VITAMIN D ANALOGUES. LEO PHARM PROD LTD (DK) 1993-01-13 EP disclosed
WO-1991015475-A1 NOVEL VITAMIN D ANALOGUES Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1991-10-17 WO disclosed