SCHEMBL7918337

SCHEMBL7918337

CO[C@@H]1C[C@@H](COCc2ccccc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
UCHL1 P09936 1/20 0.44
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
AGTR2 P50052 1/20 0.40
GHSR Q92847 1/20 0.40
KLK7 P49862 1/20 0.39
NR1D1 P20393 1/20 0.39
MCL1 Q07820 2/20 0.38
PRMT5 O14744 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
SRC P12931 2/20 0.37

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
SCHEMBL7918334 1.00 ABCB1 (0.48) ABCB1UCHL1JAK2JAK1PARP1
SCHEMBL7918342 1.00 ABCB1 (0.48) ABCB1UCHL1JAK2JAK1PARP1
SCHEMBL13759694 0.91 ABCB1 (0.56) ABCB1JAK2JAK1PARP1NR1H2
SCHEMBL28549464 0.88 PARP1 (0.46) ABCB1JAK2JAK1PARP1NR1H2
SCHEMBL29058359 0.88 ABCB1 (0.46) ABCB1JAK2JAK1PARP1NR1H2
SCHEMBL29769068 0.87 ABCB1 (0.46) ABCB1JAK2JAK1PARP1NR1H2
SCHEMBL24251965 0.87 ABCB1 (0.56) ABCB1UCHL1JAK2JAK1PARP1
SCHEMBL2933330 0.87 ABCB1 (0.56) ABCB1UCHL1JAK2JAK1PARP1
SCHEMBL1724198 0.87 ABCB1 (0.56) ABCB1UCHL1JAK2JAK1PARP1
SCHEMBL7908468 0.87 ABCB1 (0.56) ABCB1UCHL1JAK2JAK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed