SCHEMBL9714019

SCHEMBL9714019

COc1cc(OC(C)=O)c2c(C#N)cccc2c1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
MCL1 Q07820 1/20 0.41
HIF1A Q16665 1/20 0.41
TNFSF11 O14788 1/20 0.40
IMPDH2 P12268 2/20 0.39
IMPDH1 P20839 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39

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
SCHEMBL9627528 0.84 HTT (0.48) HTTKMT2AALDH1A1MAPTGAA
SCHEMBL9643363 0.81 ABCB11 (0.44) HTTKMT2AALDH1A1MAPTGAA
SCHEMBL9660612 0.81 HTT (0.52) HTTKMT2AALDH1A1MAPTGAA
SCHEMBL9629327 0.80 HTT (0.44) HTTKMT2AALDH1A1MAPTGAA
SCHEMBL9714024 0.78 ABCB11 (0.39) HTTKMT2AALDH1A1MAPTGAA
SCHEMBL9642605 0.78 ABCB11 (0.42) HTTKMT2AALDH1A1MAPTGAA
SCHEMBL9627579 0.77 BACE1 (0.49) HTTKMT2AALDH1A1MAPTGAA
SCHEMBL9627465 0.76 HTT (0.69) HTTKMT2AALDH1A1MAPTGAA
SCHEMBL9641811 0.75 PDE4A (0.40) HTTKMT2AALDH1A1MAPTGAA
SCHEMBL9628509 0.74 PTPN1 (0.45) HTTKMT2AALDH1A1MAPTGAA

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