SCHEMBL8204716

SCHEMBL8204716

CC(O)C(Cc1ccc(C#Cc2ccccc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.49
CNR1 P21554 11/20 0.47
CNR2 P34972 8/20 0.47
FFAR1 O14842 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
FDFT1 P37268 2/20 0.42
PTGES O14684 1/20 0.42

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
SCHEMBL3371553 0.87 CYP1A2 (0.51) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL3371556 0.87 CYP1A2 (0.51) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL8199975 0.86 SLC6A2 (0.46) ACACBCNR1CNR2FFAR1SLC6A2
SCHEMBL8772670 0.84 FDFT1 (0.56) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL8623146 0.78 KMT2A (0.46) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL8199320 0.78 KMT2A (0.46) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL3475482 0.76 CNR1 (0.66) CNR1CNR2
SCHEMBL8191921 0.75 CNR1 (0.48) ACACBCNR1CNR2
SCHEMBL8772772 0.75 APEX1 (0.43) CNR1CNR2FDFT1
SCHEMBL8191925 0.75 CNR1 (0.42) ACACBCNR1CNR2PTGES

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-6017956-A AN ANTITUMOR AGENT, AN ENZYME INHIBITOR FOR INHIBITING PROTEIN-FARNESYL TRANSFERASE TO SUPPRESS FUNCTION OF ONCOGENE PROTEIN RAS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
US-5919786-A ANTITUMOR AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-06 US disclosed
US-5849747-A N, n-disubstituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0805154-A1 N,N-DISUBSTITUTED AMIC ACID DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed