SCHEMBL31465663

SCHEMBL31465663

COc1cc(C)c(NC(=O)C(C)=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HPGD P15428 3/20 0.46
PTPRB P23467 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 2/20 0.46
FFAR4 Q5NUL3 1/20 0.44
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
CISD2 Q8N5K1 1/20 0.38
LCK P06239 1/20 0.38
MAPT P10636 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
SCHEMBL6433021 0.90 ALDH1A1 (0.57) ALDH1A1HPGDPTPRBHSD17B10CYP3A4
SCHEMBL9031311 0.85 HPGD (0.62) ALDH1A1HPGDPTPRBHSD17B10CYP3A4
SCHEMBL6431425 0.84 ALDH1A1 (0.46) ALDH1A1HPGDPTPRBHSD17B10CYP3A4
SCHEMBL31465693 0.83 HPGD (0.45) ALDH1A1HPGDPTPRBHSD17B10CYP3A4
SCHEMBL31465685 0.81 CYP3A4 (0.48) ALDH1A1CYP3A4KMT2ATSHRPOLB
SCHEMBL13461777 0.80 ALDH1A1 (0.70) ALDH1A1HPGDKMT2AMEN1TSHR
SCHEMBL23317289 0.76 HTT (0.54) ALDH1A1HPGDPTPRBHSD17B10CYP3A4
SCHEMBL22430536 0.76 KMT2A (0.64) ALDH1A1HPGDPTPRBHSD17B10CYP3A4
SCHEMBL22430509 0.76 POLB (0.64) ALDH1A1HPGDPTPRBHSD17B10CYP3A4
SCHEMBL22408335 0.75 KMT2A (0.45) ALDH1A1HPGDPTPRBHSD17B10CYP3A4

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-2025056724-A1 IMINOAMIDE-TYPE COMPOUNDS AS LIGANDS FOR COPPER-CATALYZED COUPLING REACTIONS OF (HETERO)ARYL HALIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-03-20 WO disclosed