SCHEMBL8804078

SCHEMBL8804078

C=CCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.52
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ MAOB P27338 2/20 0.46
▸ MIF P14174 1/20 0.43
▸ FDFT1 P37268 2/20 0.43
▸ IDO1 P14902 2/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ PDPK1 O15530 1/20 0.39
▸ DAO P14920 4/20 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
SCHEMBL8803722 0.88 TAAR1 (0.55) TAAR1HDAC1HDAC8MAOBMIF
SCHEMBL29819537 0.83 HDAC1 (0.43) HDAC1MAOB
SCHEMBL8956085 0.81 KCNH2 (0.53) DAO
SCHEMBL11516270 0.81 TAAR1 (0.52) TAAR1HDAC1HDAC8MAOBMIF
SCHEMBL3244845 0.81 TAAR1 (0.52) TAAR1HDAC1HDAC8MAOBMIF
SCHEMBL7861902 0.79 TAAR1 (0.46) TAAR1HDAC1HDAC8MAOBMIF
SCHEMBL8063276 0.78 TAAR1 (0.46) TAAR1HDAC1MAOBIDO1
SCHEMBL1119524 0.78 TAAR1 (0.57) TAAR1HDAC1HDAC8MAOBMIF
SCHEMBL11328438 0.77 TDP1 (0.48) HDAC1MAOB
SCHEMBL29217245 0.77 GPR84 (0.43) MAOBDAO

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
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 — — EP disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 — — US disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 — — EP disclosed
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