SCHEMBL31752809

SCHEMBL31752809

CC(C)c1ccccc1-c1ccccc1CN1CCOC[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
RORC P51449 1/20 0.33
USP1 O94782 4/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2A13 Q16696 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
GSK3B P49841 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CFB P00751 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL31751975 1.00 LTA4H (0.34) LTA4HRORCUSP1GPBAR1NPC1
SCHEMBL31753319 1.00 LTA4H (0.34) LTA4HRORCUSP1GPBAR1NPC1
SCHEMBL31751624 0.91 PIK3C3 (0.35) LTA4HUSP1CYP2A13CD274GSK3B
SCHEMBL31751599 0.91 PIK3C3 (0.35) LTA4HUSP1CYP2A13CD274GSK3B
SCHEMBL31752996 0.91 PIK3C3 (0.35) LTA4HUSP1CYP2A13CD274GSK3B
SCHEMBL31752464 0.89 MEN1 (0.37) LTA4HUSP1CYP2A13GSK3BCFB
SCHEMBL31753002 0.89 MEN1 (0.37) LTA4HUSP1CYP2A13GSK3BCFB
SCHEMBL31753444 0.89 MEN1 (0.37) LTA4HUSP1CYP2A13GSK3BCFB
SCHEMBL31751587 0.85 KMT2A (0.42) CFBALDH1A1MEN1KMT2A
SCHEMBL31753110 0.85 KMT2A (0.42) CFBALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025264672-A1 INHIBITORS OF MOBILIZED COLISTIN RESISTANCE ENZYME (MCR-1) AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2025-12-26 WO claimed
WO-2025264672-A1 INHIBITORS OF MOBILIZED COLISTIN RESISTANCE ENZYME (MCR-1) AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2025-12-26 WO disclosed