SCHEMBL9627484

SCHEMBL9627484

COc1cc(OC(C)=O)c2cc(C)c(C)cc2c1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
TNFSF11 O14788 1/20 0.50
NQO1 P15559 1/20 0.46
POLB P06746 1/20 0.45
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 0.43
ABCB11 O95342 1/20 0.43

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
SCHEMBL9713982 0.91 HTT (0.56) HTTTNFSF11POLBABCB11TSHR
SCHEMBL9627649 0.85 HTT (0.50) HTTTNFSF11POLBTUBB4ATUBB
SCHEMBL9627440 0.83 TNFSF11 (0.50) HTTTNFSF11NQO1POLBTSHR
SCHEMBL9628269 0.83 HTT (0.51) HTTTNFSF11NQO1POLBTUBB4A
SCHEMBL9713348 0.83 HTT (0.48) HTTTNFSF11POLBABCB11PTPN1
SCHEMBL9628275 0.83 HTT (0.48) HTTTNFSF11POLBTSHRPTPN1
SCHEMBL9627541 0.83 HTT (0.51) HTTTNFSF11NQO1POLBTUBB4A
SCHEMBL9641857 0.80 ABCB11 (0.62) HTTTNFSF11POLBTUBB4ATUBB
SCHEMBL9713846 0.80 HTT (0.46) HTTTNFSF11POLBALOX5PTPN1
SCHEMBL9627465 0.80 HTT (0.69) HTTTNFSF11NQO1TUBB4ATUBB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed