SCHEMBL31444975

SCHEMBL31444975

Cc1ncc(F)cc1C1(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.41
HDAC4 P56524 5/20 0.38
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
ABL1 P00519 1/20 0.36
APP P05067 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 2/20 0.35
SPR P35270 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ELOVL1 Q9BW60 2/20 0.32
CYP2D6 P10635 1/20 0.32
AKR1B1 P15121 1/20 0.31

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
SCHEMBL31446263 0.83 APP (0.36) AGBL2HDAC4AKR1C3AKR1C2AKR1C1
SCHEMBL15204492 0.81 AKR1C3 (0.38) AGBL2HDAC4AKR1C3AKR1C2AKR1C1
SCHEMBL30433944 0.80 POLQ (0.35) AGBL2HDAC4AKR1C3AKR1C2AKR1C1
SCHEMBL21408257 0.80 POLQ (0.35) AGBL2HDAC4AKR1C3AKR1C2AKR1C1
SCHEMBL31459534 0.73 HDAC4 (0.61) HDAC4AKR1C3AKR1C2AKR1C1AKR1B10
SCHEMBL31445374 0.73 HDAC9 (0.32) AKR1C1ABL1SPRHCAR2
SCHEMBL31446302 0.73 AKR1C3 (0.41) AGBL2HDAC4AKR1C3AKR1C2AKR1C1
SCHEMBL31446101 0.71 AKR1C3 (0.39) AGBL2AKR1C3AKR1C2AKR1C1APP
SCHEMBL4979190 0.69 PSEN1 (0.48) HDAC4AKR1C3AKR1C2AKR1C1AKR1B10
SCHEMBL6032875 0.68 AGBL2 (0.47) AGBL2CYP2C9HCAR2

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