SCHEMBL31445952

SCHEMBL31445952

N#Cc1cc(F)ccc1C1(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 2/20 0.40
FFAR4 Q5NUL3 2/20 0.39
HDAC4 P56524 2/20 0.38
ABL1 P00519 2/20 0.37
ELOVL1 Q9BW60 1/20 0.36
AKR1B1 P15121 2/20 0.36
FFAR1 O14842 1/20 0.36
LPAR1 Q92633 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CYP2D6 P10635 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL30487389 0.88 FFAR4 (0.42) APPCYP2C19CYP2C9CYP3A4FFAR4
SCHEMBL31446029 0.82 HDAC4 (0.40) FFAR4HDAC4ABL1ELOVL1
SCHEMBL1558448 0.81 FFAR4 (0.39) CYP2C19FFAR4FFAR1LPAR1
SCHEMBL2793934 0.78 APP (0.48) APPCYP2C19CYP2C9CYP3A4HDAC4
SCHEMBL28334267 0.77 AKR1C1 (0.47) HDAC4ELOVL1AKR1C1
SCHEMBL2790870 0.76 HDAC3 (0.44) APPCYP2C19CYP2C9CYP3A4HDAC4
SCHEMBL4979190 0.75 PSEN1 (0.48) APPCYP2C19CYP2C9CYP3A4HDAC4
SCHEMBL7656129 0.74 ADRA1A (0.43) CYP3A4FFAR4CYP2D6
SCHEMBL31459534 0.72 HDAC4 (0.61) APPCYP2C19CYP2C9CYP3A4HDAC4
SCHEMBL31446428 0.72 AKR1C3 (0.40) APPCYP2C19CYP2C9CYP3A4AKR1C3

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