SCHEMBL9713901

SCHEMBL9713901

CCOc1c(CC)c(OC(=O)c2ccccc2)c2cc(Cl)ccc2c1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.43
ATM Q13315 1/20 0.41
LMNA P02545 5/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
MAPK8 P45983 1/20 0.36
CNR1 P21554 1/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL9641965 0.86 LMNA (0.45) ABCB11ATMLMNAMAPTKMT2A
SCHEMBL9713719 0.84 SMN1; SMN2 (0.43) ABCB11ATMLMNAKMT2ATP53
SCHEMBL9642744 0.84 ABCB11 (0.41) ABCB11ATMLMNAMAPTGAA
SCHEMBL9642055 0.81 ABCB11 (0.47) ABCB11LMNAMAPTKMT2AALDH1A1
SCHEMBL9641934 0.80 ABCB11 (0.44) ABCB11ATMLMNAMAPTGAA
SCHEMBL9643565 0.80 ABCB11 (0.67) ABCB11LMNAMAPTGAAPOLB
SCHEMBL29372079 0.79 ABCB11 (0.49) ABCB11LMNAMAPTGAAPOLB
SCHEMBL9642845 0.77 ABCB11 (0.46) ABCB11LMNAMAPTGAAKMT2A
SCHEMBL9642881 0.77 ABCB11 (0.52) ABCB11LMNAMAPTKMT2AALDH1A1
SCHEMBL9642687 0.77 ABCB11 (0.52) ABCB11LMNAMAPTKMT2AALDH1A1

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
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed