SCHEMBL16300050

SCHEMBL16300050

CO[PH](O)(OC)O[C@@H](c1ccccc1-c1ccc(Cl)cc1)C1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
CASR P41180 4/20 0.39
ENPP2 Q13822 1/20 0.39
BCL2 P10415 7/20 0.39
BCL2L1 Q07817 6/20 0.39
BAK1 Q16611 2/20 0.39
FFAR2 O15552 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35

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 0.89 USP2 (0.44) USP2CASRENPP2BCL2BCL2L1
SCHEMBL28973706 0.89 USP2 (0.44) USP2CASRENPP2BCL2BCL2L1
SCHEMBL553482 0.84 BCL2 (0.45) USP2CASRENPP2BCL2BCL2L1
SCHEMBL554664 0.84 BCL2 (0.45) USP2CASRENPP2BCL2BCL2L1
SCHEMBL28977057 0.83 ENPP2 (0.43) USP2CASRENPP2BCL2BCL2L1
SCHEMBL19491866 0.82 USP2 (0.47) USP2CASRENPP2BCL2BCL2L1
SCHEMBL553496 0.81 BCL2 (0.41) USP2CASRENPP2BCL2BCL2L1
SCHEMBL553495 0.81 BCL2 (0.41) USP2CASRENPP2BCL2BCL2L1
SCHEMBL31451040 0.81 BCL2L1 (0.46) USP2CASRENPP2BCL2BCL2L1
SCHEMBL31450836 0.81 BCL2L1 (0.46) USP2CASRENPP2BCL2BCL2L1

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
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed