SCHEMBL12950286

SCHEMBL12950286

CCCCCCCCCCCCCC(O)C1=CCC(C(=O)OCC(=O)N2CCCC2C(=O)OCc2ccccc2)O1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.45
▸ FKBP1A P62942 11/20 0.44
▸ ACE P12821 6/20 0.42
▸ ACE2 Q9BYF1 3/20 0.40

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
SCHEMBL12950571 0.87 PRCP (0.47) PRCPFKBP1A
SCHEMBL9094520 0.78 FKBP1A (0.58) PRCPFKBP1AACEACE2
SCHEMBL9475212 0.77 FKBP1A (0.59) PRCPFKBP1AACEACE2
SCHEMBL16650233 0.76 FKBP1A (0.46) PRCPFKBP1AACE
SCHEMBL12950575 0.74 POLB (0.47) FKBP1A
SCHEMBL6784258 0.72 FKBP1A (0.61) PRCPFKBP1AACE
SCHEMBL6784238 0.72 FKBP1A (0.61) PRCPFKBP1AACE
SCHEMBL11980699 0.72 FKBP1A (0.53) FKBP1AACE
SCHEMBL19442013 0.71 FKBP1A (0.53) FKBP1AACE
SCHEMBL6787511 0.71 FKBP1A (0.55) PRCPFKBP1A

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-2011005660-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2011-01-13 — — WO disclosed
Send feedback