SCHEMBL24901894

SCHEMBL24901894

OCC12CCC(c3cccc(OCc4ccccc4)c3)(CC1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
NR4A2 P43354 1/20 0.47
MAOB P27338 5/20 0.47
ADAM17 P78536 2/20 0.46
BCHE P06276 1/20 0.44
MAOA P21397 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SMPD1 P17405 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL24901900 0.86 NR4A2 (0.50) CYP4F2CYP4A11NR4A2MAOBADAM17
SCHEMBL24901899 0.80 MAOB (0.52) CYP4F2CYP4A11NR4A2MAOBADAM17
SCHEMBL24901890 0.77 ADAM17 (0.49) NR4A2MAOBADAM17BCHEMEN1
SCHEMBL9137192 0.76 ALOX5 (0.60) CYP4F2CYP4A11ALDH1A1ALOX5
SCHEMBL2959082 0.76 CYP4F2 (0.51) CYP4F2CYP4A11NR4A2MAOBADAM17
SCHEMBL6584414 0.76 CYP4F2 (0.51) CYP4F2CYP4A11NR4A2MAOBADAM17
SCHEMBL25155645 0.76 MAOB (0.57) CYP4F2CYP4A11NR4A2MAOBADAM17
SCHEMBL2450279 0.75 PNMT (0.54) MAOBMAOASMN1; SMN2GAAMAPT
SCHEMBL10083334 0.75 MAOB (0.57) CYP4F2CYP4A11NR4A2MAOBADAM17
SCHEMBL7810973 0.73 AKR1C1 (0.55) CYP4F2CYP4A11NR4A2MAOBADAM17

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-2023001237-A1 GLUCAGON-LIKE PEPTIDE-1 RECEPTOR MODULATORS AND USES THEREOF Hepagene Therapeutics (HK) Limited (CN) 2023-01-26 WO disclosed