SCHEMBL9432020

SCHEMBL9432020

CC1CC(CCNOCc2ccccc2)(C(=O)O)c2cc(Cl)c(Cl)cc2O1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 18/20 0.50
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9433439 0.86 AKR1B1 (0.48) AKR1B1
SCHEMBL9433428 0.86 AKR1B1 (0.48) AKR1B1
SCHEMBL9433435 0.86 AKR1B1 (0.48) AKR1B1
SCHEMBL9432102 0.71 AKR1B1 (0.56) AKR1B1
SCHEMBL10487558 0.67 AKR1B1 (0.50) AKR1B1NPC1RAB9A
SCHEMBL10487556 0.67 AKR1B1 (0.50) AKR1B1NPC1RAB9A
SCHEMBL9432575 0.66 AKR1B1 (0.46) AKR1B1MAPT
SCHEMBL9432149 0.65 AKR1B1 (0.43) AKR1B1MAPTNPC1RAB9A
SCHEMBL4866087 0.61 EPHX2 (0.45) MAPTNPC1RAB9A
SCHEMBL6237661 0.61 EPHX2 (0.45) MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294635-A Heterocyclic compounds as aldose reductase inhibitors PFIZER, INC. (US) 1994-03-15 US disclosed
EP-0530198-A1 HETEROCYCLIC COMPOUNDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1993-03-10 EP disclosed
WO-1991015491-A1 HETEROCYCLIC COMPOUNDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1991-10-17 WO disclosed
US-5039672-A Administering enzyme inhibitors to control diabetes PFIZER INC. (US) 1991-08-13 US disclosed