SCHEMBL9658201

SCHEMBL9658201

CCCOC(=O)Oc1cc(OC)c(OC(=O)OCCC)c2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL9658516 0.93 KMT2A (0.44) ABCB11ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL9656702 0.91 ABCB11 (0.41) ABCB11ALDH1A1MEN1KMT2AGAA
SCHEMBL9657605 0.89 ABCB11 (0.39) ABCB11ALDH1A1HPGDMEN1KMT2A
SCHEMBL9654974 0.85 KDM4E (0.41) ALDH1A1POLBKDM4ELMNA
SCHEMBL9654661 0.85 ABCB11 (0.63) ABCB11ALDH1A1HPGDTUBB4ATUBB
SCHEMBL9657088 0.82 ABCB11 (0.39) ABCB11ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL9657653 0.82 MEN1 (0.44) ABCB11ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL9659599 0.81 KDM4E (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL9659152 0.80 ABCB11 (0.52) ABCB11ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL9656665 0.80 ABCB11 (0.47) ABCB11ALDH1A1HPGDTUBB4ATUBB

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-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed