SCHEMBL7906262

SCHEMBL7906262

CCCCC(O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.49
OPRD1 P41143 9/20 0.49
OPRK1 P41145 9/20 0.49
OPRL1 P41146 9/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
SLC2A1 P11166 3/20 0.46
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 2/20 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
SCHEMBL6690481 0.91 ADRB1 (0.48) OPRM1OPRD1OPRK1OPRL1ADRB2
SCHEMBL13849942 0.91 ADRB1 (0.48) OPRM1OPRD1OPRK1OPRL1ADRB2
SCHEMBL13849930 0.91 ADRB1 (0.48) OPRM1OPRD1OPRK1OPRL1ADRB2
SCHEMBL14402491 0.91 ADRB1 (0.48) OPRM1OPRD1OPRK1OPRL1ADRB2
SCHEMBL4773480 0.86 KMT2A (0.52) ADRB2ADRB1ADRB3SLC2A1EPHX2
SCHEMBL18548557 0.85 ADRB3 (0.46) ADRB2ADRB1ADRB3SLC2A1IDO1
SCHEMBL29493206 0.85 ADRB3 (0.46) ADRB2ADRB1ADRB3SLC2A1IDO1
SCHEMBL14733313 0.85 KCNH2 (0.44) OPRM1OPRD1OPRK1OPRL1ADRB2
Hydrochloric Acid SCHEMBL4716146 0.85 KMT2A (0.51) ADRB2ADRB1ADRB3SLC2A1EPHX2
SCHEMBL27173375 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1EPHX2

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-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed