SCHEMBL7521156

SCHEMBL7521156

COc1ccc2c(c1)O[C@@](O)(c1ccccc1)[C@H](C)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
MAOB P27338 1/20 0.44
LMNA P02545 3/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL7519941 0.89 ALDH1A1 (0.44) CYP19A1TP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7755343 0.89 TP53 (0.52) CYP19A1TP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7519457 0.88 TP53 (0.40) CYP19A1TP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7520858 0.84 KDM4E (0.43) CYP19A1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7521049 0.84 CYP19A1 (0.46) CYP19A1TP53KDM4EALDH1A1MAOB
SCHEMBL8484519 0.84 CYP19A1 (0.47) CYP19A1TP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7519643 0.83 MAP3K14 (0.39) CYP19A1TP53MAPTCRHBPCRHR2
SCHEMBL7523465 0.83 MAP3K14 (0.39) CYP19A1TP53MAPTCRHBPCRHR2
SCHEMBL7516852 0.78 ALDH1A1 (0.41) CYP19A1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL7520904 0.76 CYP19A1 (0.45) CYP19A1KDM4EMAOBLMNACRHBP

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