SCHEMBL9777981

SCHEMBL9777981

COC(=O)Cc1ccc(C(=O)CNC(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL9777984 0.86 MAPT (0.42) CYP4F2CYP4A11LMNAMAPTNPC1
SCHEMBL9778020 0.84 SLC7A5 (0.43) CYP4F2CYP4A11SMN1; SMN2MAPTALDH1A1
SCHEMBL9777993 0.77 NPC1 (0.46) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL23410286 0.77 PLOD2 (0.61) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL9778048 0.75 CYP4F2 (0.44) CYP4F2CYP4A11SMN1; SMN2LMNAMAPT
SCHEMBL8776608 0.75 CYP4F2 (0.62) CYP4F2CYP4A11SMN1; SMN2LMNAMAPT
SCHEMBL940303 0.75 MEN1 (0.52) SMN1; SMN2LMNAMAPTRAB9AKMT2A
SCHEMBL5042255 0.75 KMT2A (0.67) CYP4F2CYP4A11SMN1; SMN2LMNAMAPT
SCHEMBL8235733 0.74 SMN1; SMN2 (0.55) CYP4F2CYP4A11SMN1; SMN2LMNAMAPT
SCHEMBL14440671 0.74 TET2 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 — — US disclosed
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