SCHEMBL9778020

SCHEMBL9778020

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.43
▸ PDK2 Q15119 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL9777981 0.84 CYP4F2 (0.46) PDK2CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL13185388 0.78 SLC7A5 (0.51) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL8057054 0.76 SLC7A5 (0.50) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL1818346 0.76 L3MBTL1 (0.57) SLC7A5PDK2SYKALDH1A1MAPT
SCHEMBL9777978 0.75 SLC7A5 (0.44) SLC7A5PDK2SYKALDH1A1GAA
SCHEMBL8066589 0.74 SLC7A5 (0.46) SLC7A5CYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL30489978 0.74 SLC7A5 (0.57) SLC7A5MRGPRX4LOXL2SMN1; SMN2
SCHEMBL479999 0.74 SLC7A5 (0.57) SLC7A5MRGPRX4LOXL2SMN1; SMN2
SCHEMBL2964543 0.74 LOXL2 (0.68) SLC7A5MRGPRX4LOXL2TSHRCYP4F2
SCHEMBL8057216 0.74 SLC7A5 (0.57) SLC7A5LOXL2TSHRCYP4F2CYP4A11

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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