SCHEMBL11082185

SCHEMBL11082185

O=C(O)C1CCC(C(=O)O)(C(Cl)CCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.47
S1PR1 P21453 1/20 0.47
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
ACE P12821 1/20 0.37
SLC1A2 P43004 1/20 0.36
CNR2 P34972 1/20 0.36
TSHR P16473 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL16166732 0.73 L3MBTL1 (0.39) S1PR5S1PR1POLBL3MBTL1NPC1
SCHEMBL16166734 0.69 POLB (0.45) S1PR5S1PR1POLBL3MBTL1ALDH1A1
SCHEMBL11082188 0.69 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL11082183 0.69 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL7814243 0.69 POLB (0.54) S1PR5S1PR1POLBL3MBTL1NPC1
SCHEMBL16398595 0.68 POLB (0.40) S1PR5S1PR1POLBALDH1A1CNR2
Phenethylamine SCHEMBL7418787 0.67 HTR2A (0.59) S1PR5S1PR1POLBL3MBTL1NPC1
SCHEMBL6819745 0.66 TRPA1 (0.47) S1PR1SMN1; SMN2
SCHEMBL14379104 0.65 OPRL1 (0.46) POLBNPC1RAB9AALDH1A1
SCHEMBL1439425 0.65 S1PR5 (0.48) S1PR5S1PR1POLBL3MBTL1

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-4457924-A PENICILLINS, OXAPENICILLINS, BETA-LACTAMASE INHIBITORS PFIZER, INC. (US) 1984-07-03 US disclosed