SCHEMBL9656267

SCHEMBL9656267

COC(=O)Oc1c(OC)c(OC)c(OC(=O)OC)c2cc(C)c(C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.36
▸ KCNA3 P22001 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ AKR1B1 P15121 4/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33

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
SCHEMBL9641857 0.82 ABCB11 (0.62) ABCB11KDM4EALDH1A1HSD17B10AKR1B1
SCHEMBL9657729 0.82 MEN1 (0.37) KDM4EALDH1A1CYP1A2HSD17B10TAS1R3
SCHEMBL9656402 0.81 ABCB11 (0.41) ABCB11KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL20398629 0.81 HSD17B10 (0.48) ABCB11KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9643543 0.81 ABCB11 (0.41) ABCB11ALDH1A1TAS1R3TAS1R1AKR1B1
SCHEMBL31080948 0.81 HSD17B10 (0.48) ABCB11KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9656750 0.78 KDM4E (0.61) ABCB11KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9643555 0.78 ALDH1A1 (0.44) ABCB11KDM4EALDH1A1HSD17B10AKR1B1
SCHEMBL9656140 0.78 ABCB11 (0.49) ABCB11KDM4ECYP1A2CYP2C9IDO1
SCHEMBL9658066 0.78 ABCB11 (0.74) ABCB11KDM4EALDH1A1CYP1A2CYP2C9

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
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