SCHEMBL31445485

SCHEMBL31445485

CC(C(=O)O)c1c(F)cccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
AKR1C3 P42330 7/20 0.38
AKR1C2 P52895 7/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
FABP2 P12104 1/20 0.38
TSHR P16473 1/20 0.38
AKR1C4 P17516 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL15645990 0.82 CES2 (0.47) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL15645912 0.82 CES2 (0.47) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL16267366 0.81 CXCL8 (0.42) RIPK1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL807528 0.79 TSHR (0.39) RIPK1TSHRL3MBTL1CYP2C9HPGD
SCHEMBL31445554 0.78 KMT2A (0.44) AKR1C3AKR1C2PTGS1PTGS2KMT2A
SCHEMBL11139560 0.75 CXCL8 (0.45) RIPK1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL31561697 0.73 L3MBTL1 (0.45) PTGS1PTGS2LMNATSHRSLC22A6
SCHEMBL7050570 0.73 L3MBTL1 (0.45) PTGS1PTGS2LMNATSHRSLC22A6
SCHEMBL11153493 0.72 AKR1C3 (0.56) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL20534709 0.72 KMT2A (0.47) AKR1C3AKR1C2PTGS1PTGS2MEN1

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