SCHEMBL31445195

SCHEMBL31445195

CCC(NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.44
▸ ITGAV P06756 3/20 0.44
▸ ITGB6 P18564 3/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ GRN P28799 5/20 0.43
▸ SORT1 Q99523 5/20 0.43
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ VNN1 O95497 2/20 0.40
▸ S1PR2 O95136 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
SCHEMBL27913109 0.84 ITGAV (0.43) DDR1ITGAVITGB6TAS1R3TAS1R1
SCHEMBL31446360 0.81 PPARG (0.53) CTSL
SCHEMBL13753151 0.80 NPSR1 (0.63) DDR1TAS1R3TAS1R1NPSR1
SCHEMBL13753001 0.80 DDR1 (0.55) DDR1TACR1VNN1
SCHEMBL13753586 0.78 NPSR1 (0.47) DDR1TAS1R3TAS1R1TACR1NPSR1
SCHEMBL19418933 0.77 CA2 (0.52) GRNSORT1TACR1NPSR1
SCHEMBL13753427 0.77 NPSR1 (0.49) DDR1TAS1R3TAS1R1TACR1NPSR1
SCHEMBL13753284 0.77 MLYCD (0.58) DDR1TAS1R3TAS1R1TACR1NPSR1
SCHEMBL31445988 0.76 CTSL (0.57) ITGB2ICAM1ITGALEGLN1CTSL
SCHEMBL31446720 0.75 ALDH1A1 (0.58) EGLN1CTSL

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
Send feedback