SCHEMBL7516852

SCHEMBL7516852

COCOc1ccc2c(c1)O[C@@](O)(c1ccc(C)cc1)[C@H](C)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 4/20 0.40
KCNH2 Q12809 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EDNRA P25101 2/20 0.35
CYP19A1 P11511 2/20 0.35
EIF4A1 P60842 1/20 0.35
MAPT P10636 1/20 0.34
ROR1 Q01973 1/20 0.34
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33

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
SCHEMBL7519457 0.90 TP53 (0.40) ALDH1A1LMNAMAOBPOLBNPSR1
SCHEMBL7519941 0.89 ALDH1A1 (0.44) ALDH1A1LMNATDP1MAOBKDM4E
SCHEMBL7518921 0.83 CYP19A1 (0.37) ALDH1A1TDP1POLBKDM4ESMN1; SMN2
SCHEMBL7519608 0.82 CYP19A1 (0.39) ALDH1A1LMNATDP1MAOBKDM4E
SCHEMBL7521746 0.79 ALDH1A1 (0.42) ALDH1A1MAOBKDM4EMAPTCHRNA1
SCHEMBL7521156 0.78 CYP19A1 (0.50) ALDH1A1LMNAMAOBNPSR1KDM4E
SCHEMBL7521049 0.75 CYP19A1 (0.46) ALDH1A1LMNAMAOBNPSR1KDM4E
SCHEMBL2337166 0.75 CYP19A1 (0.43) LMNATDP1MAOBKCNH2POLB
SCHEMBL3306471 0.75 CYP19A1 (0.43) LMNATDP1MAOBKCNH2POLB
SCHEMBL8484519 0.73 CYP19A1 (0.47) ALDH1A1LMNATDP1MAOBPOLB

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