SCHEMBL7404646

SCHEMBL7404646

NC1CCc2cc(O)ccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 8/20 0.57
CYP19A1 P11511 2/20 0.52
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
PRKCI P41743 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
OPRK1 P41145 1/20 0.49
ESR2 Q92731 2/20 0.44
CYP24A1 Q07973 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43

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
Bromide SCHEMBL7401839 0.98 CYP26A1 (0.56) CYP26A1CYP19A1MAOBMAOAPRKCI
SCHEMBL1807768 0.79 PARP10 (0.47) CYP26A1
SCHEMBL5989642 0.79 CYP26A1 (0.57) CYP26A1CYP19A1MAOBMAOAPRKCI
SCHEMBL9419757 0.79 CYP26A1 (0.57) CYP26A1CYP19A1MAOBMAOAPRKCI
Hydrochloric Acid SCHEMBL1812281 0.78 PARP10 (0.46) CYP26A1
SCHEMBL5753017 0.76 CYP24A1 (0.55) CYP26A1CYP19A1DRD2DRD3CYP24A1
SCHEMBL5989192 0.75 CYP26A1 (0.53) CYP26A1CYP19A1MAOBMAOAPRKCI
Hydrochloric Acid SCHEMBL1813880 0.74 CYP24A1 (0.54) CYP26A1CYP19A1DRD2DRD3CYP24A1
SCHEMBL32666918 0.74 CYP26A1 (0.56) CYP26A1CYP19A1MAOBMAOAPRKCI
SCHEMBL5257437 0.74 CYP26A1 (0.56) CYP26A1CYP19A1MAOBMAOAPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117910-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0799189-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-17 EP disclosed
EP-0799189-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
WO-1996018602-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-20 WO disclosed