SCHEMBL7518810

SCHEMBL7518810

COc1ccc([C@@]2(O)CC(=O)c3ccccc3O2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
EDNRB P24530 5/20 0.42
EDNRA P25101 5/20 0.42
RIPK1 Q13546 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM5 P08912 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KLK7 P49862 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL7518808 1.00 L3MBTL1 (0.44) L3MBTL1EDNRBEDNRARIPK1SMN1; SMN2
SCHEMBL30872986 0.81 RIPK1 (0.53) RIPK1SMN1; SMN2MEN1LMNAPOLB
SCHEMBL7605812 0.76 KDM4E (0.57) EDNRBEDNRARIPK1SMN1; SMN2LMNA
SCHEMBL753626 0.76 SIGMAR1 (0.45) RIPK1MAPTKDM4EATM
SCHEMBL2022537 0.76 SIGMAR1 (0.45) RIPK1MAPTKDM4EATM
SCHEMBL30062559 0.75 MAPT (0.43) RIPK1SMN1; SMN2MEN1LMNAMAPT
SCHEMBL14376175 0.72 LMNA (0.67) L3MBTL1SMN1; SMN2MEN1LMNAPOLB
SCHEMBL29375243 0.72 KDM4E (0.60) RIPK1SMN1; SMN2MEN1LMNAMAPT
SCHEMBL31074904 0.68 SIGMAR1 (0.38) RIPK1MAPTALDH1A1KDM4EATM
Pentachlorophenol SCHEMBL4951417 0.68 SIGMAR1 (0.41) RIPK1MAPTALDH1A1KDM4EATM

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-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