SCHEMBL9628189

SCHEMBL9628189

COc1cc(OC)c2cc(Cl)ccc2c1OC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.70
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43
TUBB6 Q9BUF5 3/20 0.43
TUBB2B Q9BVA1 3/20 0.43
TUBB1 Q9H4B7 3/20 0.43
TNFSF11 O14788 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 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
SCHEMBL9629306 0.95 ABCB11 (0.68) ABCB11TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9627417 0.90 ABCB11 (0.68) ABCB11TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9627379 0.90 ABCB11 (0.68) ABCB11TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9627553 0.88 ABCB11 (0.67) ABCB11TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30226877 0.87 ABCB11 (0.54) ABCB11TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9659152 0.87 ABCB11 (0.52) ABCB11TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30226752 0.86 ABCB11 (0.57) ABCB11TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9660007 0.84 ABCB11 (0.50) ABCB11TUBB4ATUBBTUBA3CTUBA1B
Lonapalene SCHEMBL120134 0.83 ABCB11 (1.00) ABCB11TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9713801 0.82 ABCB11 (0.51) ABCB11TUBB4ATUBBTUBA3CTUBA1B

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