SCHEMBL9629409

SCHEMBL9629409

CCc1c(OC)c(OC(C)=O)c2ccc(OC)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.48
NQO1 P15559 2/20 0.41
BACE1 P56817 3/20 0.40
SLC22A12 Q96S37 4/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39
TUBB2B Q9BVA1 2/20 0.39
TUBB1 Q9H4B7 2/20 0.39
ALDH1A1 P00352 4/20 0.37

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
SCHEMBL9627870 0.90 ABCB11 (0.46) ABCB11NQO1BACE1TUBB4ATUBB
SCHEMBL9629261 0.89 ABCB11 (0.54) ABCB11BACE1SLC22A12TUBB4ATUBB
SCHEMBL9643550 0.85 ABCB11 (0.57) ABCB11BACE1TUBB4ATUBBTUBA3C
SCHEMBL9629259 0.84 ABCB11 (0.45) ABCB11NQO1BACE1SLC22A12TUBB4A
SCHEMBL9628418 0.83 KDM4E (0.49) ABCB11BACE1ALDH1A1PDE4APDE4B
SCHEMBL9657675 0.82 NQO1 (0.44) NQO1SLC22A12TUBB4ATUBBTUBA3C
SCHEMBL9642665 0.81 ABCB11 (0.69) ABCB11BACE1TUBB4ATUBBTUBA3C
SCHEMBL9642480 0.79 ABCB11 (0.57) ABCB11BACE1TUBB4ATUBBTUBA3C
SCHEMBL9713977 0.78 ABCB11 (0.44) ABCB11BACE1ALDH1A1HPGDPDE4A
SCHEMBL9628139 0.77 ABCB11 (0.46) ABCB11BACE1ALDH1A1HPGDKDM4E

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-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP 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