SCHEMBL7519608

SCHEMBL7519608

Cc1ccc([C@]2(O)Oc3cc(C)ccc3C(=O)[C@H]2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAOB P27338 8/20 0.37
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 3/20 0.35
RAD52 P43351 1/20 0.35

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
SCHEMBL7521049 0.92 CYP19A1 (0.46) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7521746 0.91 ALDH1A1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7519941 0.88 ALDH1A1 (0.44) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3306471 0.86 CYP19A1 (0.43) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2337166 0.86 CYP19A1 (0.43) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7516852 0.82 ALDH1A1 (0.41) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7526818 0.81 CYP19A1 (0.45) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7520904 0.81 CYP19A1 (0.45) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7520858 0.78 KDM4E (0.43) CYP19A1CA1CA2CA7CA9
SCHEMBL7519643 0.77 MAP3K14 (0.39) CYP19A1CHRNA1CHRNGCHRNB1CHRNB2

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