SCHEMBL9777978

SCHEMBL9777978

COC(=O)Cc1cccc(C(O)CNC(=O)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.44
▸ SYK P43405 1/20 0.41
▸ PDK2 Q15119 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ADRB2 P07550 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ BCAT2 O15382 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
SCHEMBL9778048 0.85 CYP4F2 (0.44) PDK2MEN1KMT2ANPC1ALDH1A1
SCHEMBL21839394 0.79 SLC7A5 (0.52) SLC7A5SYKPDK2MEN1KMT2A
SCHEMBL2754731 0.77 BCAT2 (0.42) ADRB2ADRB3ADRB1NPC1RAB9A
SCHEMBL8057214 0.76 KDM4E (0.60) ADRB2ADRB3ADRB1GAA
SCHEMBL9778026 0.75 ADRB2 (0.47) ADRB2ADRB3ADRB1NPC1GAA
SCHEMBL9778020 0.75 SLC7A5 (0.43) SLC7A5SYKPDK2ALDH1A1GAA
SCHEMBL14643104 0.75 MTNR1A (0.40) —
SCHEMBL8186958 0.74 SLC7A5 (0.56) SLC7A5PDK2MEN1KMT2ANPC1
SCHEMBL1818346 0.74 L3MBTL1 (0.57) SLC7A5SYKPDK2MEN1KMT2A
SCHEMBL10279346 0.72 PNMT (0.40) NPC1RAB9AALDH1A1BCAT2

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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