SCHEMBL31444713

SCHEMBL31444713

CNC(=O)CCn1ccc2ccc(NC(=O)OC(C)(C)C)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
ACSS2 Q9NR19 1/20 0.42
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KMO O15229 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP17A1 P05093 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.39
MCHR1 Q99705 2/20 0.38
MCHR2 Q969V1 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL30313113 0.78 ACSS2 (0.42) EPHX2NR1H4ACSS2MAOAMAOB
SCHEMBL709959 0.77 CNR1 (0.50) EPHX2NR1H4ACSS2MAOAMAOB
SCHEMBL916116 0.74 ACSS2 (0.48) EPHX2NR1H4ACSS2CYP17A1LMNA
SCHEMBL22420998 0.74 KMO (0.70) MTNR1AMTNR1BKMOLMNAPOLB
SCHEMBL31444682 0.74 HTR7 (0.48) MTNR1AMTNR1BKMOLMNA
SCHEMBL31444669 0.74 KMO (0.48) MTNR1AMTNR1BKMOUSP2ALDH1A1
SCHEMBL916112 0.74 NAMPT (0.48) EPHX2NR1H4ACSS2MAOBCYP17A1
Hydrochloric Acid SCHEMBL31444770 0.73 KMO (0.47) MTNR1AMTNR1BKMOUSP2ALDH1A1
SCHEMBL28998317 0.72 ACSS2 (0.49) ACSS2MAOAMAOBMAPK14CYP17A1
SCHEMBL6208377 0.72 EPHX2 (0.45) EPHX2NR1H4ACSS2MAOAMAOB

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-2025096710-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 WO disclosed