SCHEMBL8973050

SCHEMBL8973050

O=C(O)C1(C(=O)O)C=CC(c2ccccc2)=CC1.O=C(O)C1CCC(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
VCP P55072 10/20 0.36
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL316146 0.89 THRB (0.32) AKR1C1
Hydrochloric Acid SCHEMBL8006256 0.88 THRB (0.32) AKR1C1
Hydrochloric Acid SCHEMBL2219432 0.88 THRB (0.32) AKR1C1
SCHEMBL21328421 0.88 THRB (0.32) AKR1C1
SCHEMBL28256376 0.88 THRB (0.32) AKR1C1
SCHEMBL27561056 0.86 TP53 (0.36) RAB9ANPC1GAA
Biphenyl SCHEMBL9775373 0.86 TP53 (0.33) GAA
Water SCHEMBL28074687 0.86 THRB (0.31) AKR1C1
Anthracene SCHEMBL28212238 0.82 ACMSD (0.33) RAB9ANPC1ALDH1A1
SCHEMBL6808145 0.81 MAPT (0.33) ALDH1A1

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-5536810-A FLUIDIZED BED ZIMMER AKTIENGESELLSCHAFT (DE) 1996-07-16 US claimed