SCHEMBL11097558

SCHEMBL11097558

COc1cccc(C(=O)CP(=O)(O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
PARP1 P09874 1/20 0.56
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
HSD11B1 P28845 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TP53 P04637 2/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL5732667 0.86 CES2 (0.57) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL5732673 0.84 CES2 (0.51) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL30758862 0.81 CES2 (0.69) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL11248287 0.81 CES2 (0.69) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL29588852 0.80 CES2 (0.67) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL1305114 0.80 CES2 (0.67) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL733307 0.80 CES2 (0.67) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL11193938 0.79 CES2 (0.61) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL28009357 0.79 CES2 (0.61) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL24262851 0.78 CES2 (0.65) CES2CES1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0037713-B1 NOVEL 1,3-DIHYDRO-1-((1-PIPERIDINYL)ALKYL)-2H-BENZIMIDAZOL-2-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-02-08 EP disclosed
EP-0037713-A1 Novel 1,3-dihydro-1-((1-piperidinyl)alkyl)-2H-benzimidazol-2-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-14 EP disclosed
US-4254127-A ANTIEMETIC, NEUROLIPTIC AND ANTICONGESTIVE AGENT JANSSEN PHARMACEUTICA, N.V. (BE) 1981-03-03 US disclosed