SCHEMBL31446360

SCHEMBL31446360

CCC(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.53
▸ PPARA Q07869 2/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ CYP3A4 P08684 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP2D6 P10635 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PTPN1 P18031 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CA2 P00918 3/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ CES2 O00748 1/20 0.46

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
SCHEMBL12984315 0.86 CA2 (0.61) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL12984316 0.86 CA2 (0.61) CYP3A4CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL31446720 0.84 ALDH1A1 (0.58) L3MBTL1LMNAALDH1A1NPC1PTPN1
SCHEMBL10659467 0.82 MEN1 (0.54) SMN1; SMN2L3MBTL1LMNAALDH1A1RAB9A
SCHEMBL265506 0.82 ALDH1A1 (0.58) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL1427713 0.82 ALDH1A1 (0.58) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL2853466 0.82 ALDH1A1 (0.58) L3MBTL1LMNAALDH1A1NPC1RAB9A
SCHEMBL31445195 0.81 DDR1 (0.44) CTSL
SCHEMBL26263205 0.81 ALDH1A1 (0.54) SMN1; SMN2L3MBTL1LMNAALDH1A1PTPN1
SCHEMBL8140150 0.81 KDM4E (0.50) CYP3A4CYP1A2CYP2C19L3MBTL1ALDH1A1

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
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