SCHEMBL7527043

SCHEMBL7527043

C[C@@H]1C(=O)c2ccccc2O[C@@]1(O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 7/20 0.45
CHRNB1 P11230 7/20 0.45
CHRNB2 P17787 7/20 0.45
SLC6A2 P23975 7/20 0.45
CHRNB4 P30926 7/20 0.45
CHRNA3 P32297 7/20 0.45
CHRNA4 P43681 7/20 0.45
SLC6A3 Q01959 7/20 0.45
SLC6A4 P31645 6/20 0.45
CHRNG P07510 5/20 0.45
CHRND Q07001 5/20 0.45
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL7520344 0.85 RET (0.45) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL7519643 0.83 MAP3K14 (0.39) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL7522670 0.83 CYP19A1 (0.44) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL7523465 0.83 MAP3K14 (0.39) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL3306471 0.79 CYP19A1 (0.43) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL7521676 0.79 MAPT (0.43) CYP3A4ALOX15LMNANPSR1TSHR
SCHEMBL2337166 0.79 CYP19A1 (0.43) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL7520578 0.78 GAA (0.43) CYP3A4ALOX15LMNANPSR1ALDH1A1
SCHEMBL7520676 0.77 CRHBP (0.37) CYP3A4ALOX15RETKDRALDH1A1
SCHEMBL7530287 0.77 OPRD1 (0.37) CYP3A4ALOX15NPSR1ALDH1A1

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