SCHEMBL28973706

SCHEMBL28973706

COC(c1ccccc1-c1ccc(Cl)cc1)C1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ENPP2 Q13822 2/20 0.43
CASR P41180 4/20 0.43
BCL2 P10415 5/20 0.42
BAK1 Q16611 2/20 0.42
BCL2L1 Q07817 4/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
FFAR2 O15552 1/20 0.39
TP53 P04637 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL24184005 1.00 USP2 (0.44) USP2ENPP2CASRBCL2BAK1
SCHEMBL16300050 0.89 USP2 (0.40) USP2ENPP2CASRBCL2BAK1
SCHEMBL554664 0.89 BCL2 (0.45) USP2ENPP2CASRBCL2BAK1
SCHEMBL553482 0.89 BCL2 (0.45) USP2ENPP2CASRBCL2BAK1
SCHEMBL24184006 0.89 POLB (0.44) USP2BCL2BAK1BCL2L1ALDH1A1
SCHEMBL28977057 0.87 ENPP2 (0.43) USP2ENPP2CASRBCL2BAK1
SCHEMBL19491866 0.87 USP2 (0.47) USP2ENPP2CASRBCL2BAK1
SCHEMBL553496 0.86 BCL2 (0.41) USP2ENPP2CASRBCL2BAK1
SCHEMBL553495 0.86 BCL2 (0.41) USP2ENPP2CASRBCL2BAK1
SCHEMBL31450836 0.85 BCL2L1 (0.46) USP2ENPP2CASRBCL2BCL2L1

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
CN-115697967-A Sulfonylbenzamide derivatives, conjugates thereof, preparation methods and applications of derivatives and conjugates 江苏恒瑞医药股份有限公司 2023-02-03 CN disclosed