SCHEMBL9778048

SCHEMBL9778048

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL9778026 0.87 ADRB2 (0.47) CYP4F2CYP4A11SMN1; SMN2NPC1GAA
SCHEMBL9777978 0.85 SLC7A5 (0.44) ALDH1A1KMT2AMEN1PDK2NPC1
SCHEMBL10592416 0.85 ALOX15 (0.48) SMN1; SMN2LMNANPC1GAAALOX15
SCHEMBL13849449 0.76 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9777981 0.75 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL17966287 0.73 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL20289749 0.72 EPHX2 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4113212 0.72 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22591171 0.71 EPHX2 (0.42) KMT2AMEN1SMN1; SMN2LMNAHPGD
SCHEMBL2060365 0.71 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1SMN1; SMN2LMNA

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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