SCHEMBL31446263

SCHEMBL31446263

O=C(O)C1(c2cc(F)cnc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 3/20 0.36
AKR1C3 P42330 5/20 0.36
AKR1C2 P52895 5/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
HDAC4 P56524 2/20 0.34
SPR P35270 1/20 0.34
AKR1C1 Q04828 3/20 0.33
CYP2D6 P10635 1/20 0.33
ELOVL1 Q9BW60 2/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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
SCHEMBL31444975 0.83 AGBL2 (0.41) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL15204492 0.83 AKR1C3 (0.38) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL21408257 0.80 POLQ (0.35) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL30433944 0.80 POLQ (0.35) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL31446302 0.76 AKR1C3 (0.41) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL31446101 0.73 AKR1C3 (0.39) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL4979190 0.71 PSEN1 (0.48) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL1759727 0.70 APP (0.40) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL30910237 0.70 HCAR2 (0.47) APPCYP2C19CYP2C9CYP3A4AKR1C3
SCHEMBL31459534 0.69 HDAC4 (0.61) 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