SCHEMBL9628112

SCHEMBL9628112

CCOc1ccc2c(OC(C)=O)c(OC)cc(OC(C)=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.45
TUBB P07437 4/20 0.45
TUBA3C P0DPH7 4/20 0.45
TUBA1B P68363 4/20 0.45
TUBA4A P68366 4/20 0.45
TUBB4B P68371 4/20 0.45
TUBB3 Q13509 4/20 0.45
TUBB2A Q13885 4/20 0.45
TUBB8 Q3ZCM7 4/20 0.45
TUBA3E Q6PEY2 4/20 0.45
TUBA1A Q71U36 4/20 0.45
TUBA1C Q9BQE3 4/20 0.45
TUBB6 Q9BUF5 4/20 0.45
TUBB2B Q9BVA1 4/20 0.45
TUBB1 Q9H4B7 4/20 0.45
ALOX5 P09917 2/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 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
SCHEMBL9627729 0.88 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9713775 0.82 ALOX5 (0.51) ALOX5HTTMEN1KMT2A
SCHEMBL9627324 0.81 HTT (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9713989 0.80 BACE1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9628345 0.80 HTT (0.56) ALOX5KDM4EMAPTLMNAHTT
SCHEMBL9628760 0.80 HTT (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9627541 0.79 HTT (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9628545 0.79 ABCB11 (0.51) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL9627507 0.78 HTT (0.48) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL9713745 0.78 BACE1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 5 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-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
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed