SCHEMBL9659003

SCHEMBL9659003

CNC(=O)Oc1cc(OC)c(OC)c2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9660007 0.90 ABCB11 (0.50) ABCB11ALDH1A1HPGDTUBB4ATUBB
SCHEMBL9657945 0.89 ABCB11 (0.47) ABCB11ALDH1A1HPGDTUBB4ATUBB
SCHEMBL9657963 0.86 ABCB11 (0.55) ABCB11ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL9627379 0.85 ABCB11 (0.68) ABCB11ALDH1A1HPGDTUBB4ATUBB
SCHEMBL9660610 0.83 ALDH1A1 (0.53) ALDH1A1HPGDTUBB4ATUBBTUBA3C
SCHEMBL9656448 0.83 ABCB11 (0.70) ABCB11ALDH1A1HPGDTUBB4ATUBB
SCHEMBL9660000 0.81 ABCB11 (0.44) ABCB11ALDH1A1LMNAMAPTMEN1
SCHEMBL9656392 0.81 ABCB11 (0.49) ABCB11ALDH1A1HPGDTUBB4ATUBB
SCHEMBL9629306 0.79 ABCB11 (0.68) ABCB11ALDH1A1HPGDTUBB4ATUBB
SCHEMBL9659152 0.79 ABCB11 (0.52) ABCB11ALDH1A1TUBB4ATUBBTUBA3C

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-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
EP-0282006-A1 Naphtalene 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