SCHEMBL7519941

SCHEMBL7519941

COc1ccc2c(c1)O[C@@](O)(c1ccc(C)cc1)[C@H](C)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 4/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP19A1 P11511 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 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
SCHEMBL7521156 0.89 CYP19A1 (0.50) ALDH1A1SMN1; SMN2MAOBKDM4ELMNA
SCHEMBL7516852 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAOBKDM4ELMNA
SCHEMBL7519608 0.88 CYP19A1 (0.39) ALDH1A1MAOBKDM4ELMNACYP19A1
SCHEMBL7521746 0.85 ALDH1A1 (0.42) ALDH1A1MAOBKDM4ECA1CA2
SCHEMBL8484519 0.81 CYP19A1 (0.47) ALDH1A1SMN1; SMN2MAOBKDM4ELMNA
SCHEMBL7521049 0.81 CYP19A1 (0.46) ALDH1A1MAOBKDM4ELMNACRHBP
SCHEMBL3306471 0.80 CYP19A1 (0.43) SMN1; SMN2MAOBLMNACRHBPCRHR2
SCHEMBL2337166 0.80 CYP19A1 (0.43) SMN1; SMN2MAOBLMNACRHBPCRHR2
SCHEMBL7519457 0.78 TP53 (0.40) ALDH1A1SMN1; SMN2MAOBKDM4ELMNA
SCHEMBL7755343 0.78 TP53 (0.52) ALDH1A1SMN1; SMN2MAOBKDM4ELMNA

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 3 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