SCHEMBL7530287

SCHEMBL7530287

C[C@@H]1C(=O)c2ccccc2O[C@@]1(O)c1ccc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.37
MDM2 Q00987 2/20 0.36
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
EIF4A1 P60842 2/20 0.34
PGR P06401 3/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
LRRK2 Q5S007 1/20 0.33
ABCC9 O60706 1/20 0.32
PDK2 Q15119 2/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL2337166 0.84 CYP19A1 (0.43) OPRD1MDM2CYP3A4ALOX15
SCHEMBL3306471 0.84 CYP19A1 (0.43) OPRD1MDM2CYP3A4ALOX15
SCHEMBL7521676 0.84 MAPT (0.43) OPRD1CYP3A4ALOX15ALDH1A1NPSR1
SCHEMBL7520344 0.83 RET (0.45) MDM2CYP3A4ALOX15ALDH1A1NPSR1
SCHEMBL8484519 0.82 CYP19A1 (0.47) CYP3A4ALOX15ALDH1A1
SCHEMBL7516218 0.81 MEN1 (0.40) OPRD1CYP3A4ALOX15OPRM1OPRK1
SCHEMBL7520906 0.80 KDM4E (0.39) OPRD1CYP3A4ALOX15OPRM1OPRK1
SCHEMBL7518991 0.79 TSHR (0.39) MDM2CYP3A4ALOX15PDK2ALDH1A1
SCHEMBL7518921 0.78 CYP19A1 (0.37) CYP3A4ALOX15ALDH1A1
SCHEMBL7527043 0.77 CHRNA1 (0.45) CYP3A4ALOX15ALDH1A1NPSR1

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
EP-0743311-B1 FLAVANONOL DERIVATIVES AND HAIR NOURISHMENT AND GROWTH STIMULANT COMPOSITION CONTAINING THE SAME KAO CORP (JP) 2002-02-13 EP disclosed
US-5876703-A CELL DIFFERENTIATION OF HAIR MATRIX CELLS KAO CORPORATION (JP) 1999-03-02 US disclosed
US-5702691-A Flavanonol derivatives and hair-nourishing, hair growing compositions containing the derivatives KAO CORPORATION (JP) 1997-12-30 US disclosed
EP-0743311-A1 FLAVANONOL DERIVATIVES AND HAIR NOURISHMENT AND GROWTH STIMULANT COMPOSITION CONTAINING THE SAME Kao Corporation (JP) 1996-11-20 EP disclosed