SCHEMBL31445583

SCHEMBL31445583

CC(C(=O)O)c1ncccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.45
AKR1C2 P52895 6/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
PTGS1 P23219 5/20 0.41
PTGS2 P35354 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
FABP2 P12104 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C4 P17516 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL23886543 0.80 NAPRT (0.43) TRPM8NAPRTKMT2APOLBLMNA
SCHEMBL3741239 0.80 SMN1; SMN2 (0.42) AKR1C3AKR1C2NAPRTPTGS1PTGS2
SCHEMBL30370713 0.80 NAPRT (0.43) TRPM8NAPRTKMT2APOLBLMNA
Hydrochloric Acid SCHEMBL30370512 0.79 NAPRT (0.42) TRPM8NAPRTKMT2APOLBLMNA
Hydrochloric Acid SCHEMBL23886539 0.79 NAPRT (0.42) TRPM8NAPRTKMT2APOLBLMNA
SCHEMBL18989970 0.79 NAPRT (0.42) AKR1C3AKR1C2NAPRTPTGS1PTGS2
SCHEMBL3746240 0.79 CXCL8 (0.42) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL9963324 0.78 CYP2D6 (0.40) TRPM8NAPRTL3MBTL1CNR1
SCHEMBL895816 0.78 AKR1C3 (0.41) AKR1C3AKR1C2TRPM8NAPRTLMNA
SCHEMBL17061189 0.78 CTSA (0.45) TRPM8NAPRTCYP1A2MAPTL3MBTL1

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