SCHEMBL6099520

SCHEMBL6099520

O=C(N[C@@H](Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.52
KIFC1 Q9BW19 3/20 0.50
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
FPR2 P25090 1/20 0.47
PTPN1 P18031 2/20 0.47
PPARA Q07869 1/20 0.47
CA2 P00918 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
PPARD Q03181 1/20 0.44
GPR34 Q9UPC5 1/20 0.44
CTSL P07711 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL5927329 0.97 PTPN1 (0.52) GPR132KIFC1ITGB1ITGA4FPR2
SCHEMBL28756787 0.96 GPR132 (0.54) GPR132KIFC1ITGB1ITGA4L3MBTL1
SCHEMBL5927551 0.96 GPR132 (0.54) GPR132KIFC1ITGB1ITGA4L3MBTL1
SCHEMBL5927180 0.91 GPR132 (0.53) GPR132KIFC1ITGB1ITGA4FPR2
SCHEMBL5926493 0.86 PTPN1 (0.62) GPR132KIFC1ITGB1ITGA4L3MBTL1
SCHEMBL3991795 0.86 PTPN1 (0.62) GPR132KIFC1ITGB1ITGA4L3MBTL1
SCHEMBL5927540 0.85 GPR132 (0.56) GPR132KIFC1L3MBTL1FPR2PTPN1
SCHEMBL5926983 0.85 LMNA (0.54) GPR132KIFC1ITGB1ITGA4GPR34
SCHEMBL5927620 0.83 CA2 (0.63) GPR132KIFC1L3MBTL1FPR2PTPN1
SCHEMBL5927385 0.83 CA2 (0.62) GPR132KIFC1ITGB1ITGA4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO disclosed