SCHEMBL9713973

SCHEMBL9713973

COc1cc(OC(C)=O)c2c(Sc3cccc(Cl)c3)cccc2c1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
SLC6A9 P48067 4/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
RHEB Q15382 1/20 0.37
DHFR P00374 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
MCL1 Q07820 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL9713113 0.89 HTT (0.42) DHFRALDH1A1MAPTMEN1KMT2A
SCHEMBL10832739 0.85 ABCB11 (0.52) ABCB11SLC6A9EGFRLCKRHEB
SCHEMBL9713640 0.84 ALDH1A1 (0.38) ABCB11ALDH1A1MAPTMEN1KMT2A
SCHEMBL9713601 0.83 TUBB4A (0.38) SLC6A9DHFRALDH1A1MAPTMEN1
SCHEMBL9713596 0.81 MAPT (0.41) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9713440 0.80 HTT (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9629327 0.79 HTT (0.44) ABCB11ALDH1A1MAPTMEN1KMT2A
SCHEMBL9627528 0.77 HTT (0.48) ABCB11ALDH1A1MAPTMEN1KMT2A
SCHEMBL9660612 0.75 HTT (0.52) ABCB11ALDH1A1MAPTMEN1KMT2A
SCHEMBL9713953 0.75 HTT (0.42) ABCB11ALDH1A1MAPTMEN1KMT2A

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