SCHEMBL9713113

SCHEMBL9713113

COc1cc(OC(C)=O)c2c(Sc3ccccc3)cccc2c1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
GAA P10253 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
MCL1 Q07820 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.38
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38
TUBB8 Q3ZCM7 3/20 0.38
TUBA3E Q6PEY2 3/20 0.38

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
SCHEMBL9713601 0.90 TUBB4A (0.38) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713973 0.89 ABCB11 (0.41) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713596 0.87 MAPT (0.41) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL9713440 0.86 HTT (0.40) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9713640 0.84 ALDH1A1 (0.38) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9644096 0.83 ABCB11 (0.42) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9627528 0.81 HTT (0.48) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9627579 0.79 BACE1 (0.49) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9660612 0.78 HTT (0.52) HTTGAAMAPTALDH1A1KMT2A
SCHEMBL9629327 0.77 HTT (0.44) HTTGAAMAPTALDH1A1KMT2A

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