SCHEMBL24901900

SCHEMBL24901900

O=C(O)CC12CCC(c3cccc(OCc4ccccc4)c3)(CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.50
ADAM17 P78536 2/20 0.48
MAOB P27338 5/20 0.48
FFAR1 O14842 1/20 0.47
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SMPD1 P17405 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
SRD5A2 P31213 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
PTPN1 P18031 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL24901894 0.86 CYP4F2 (0.51) NR4A2ADAM17MAOBKMT2ASMN1; SMN2
SCHEMBL24901899 0.80 MAOB (0.52) NR4A2ADAM17MAOBKDM4EALDH1A1
SCHEMBL24901890 0.79 ADAM17 (0.49) NR4A2ADAM17MAOBKMT2A
SCHEMBL2453935 0.78 DGAT1 (0.49) KMT2ASMN1; SMN2PKM
SCHEMBL10083334 0.78 MAOB (0.57) NR4A2ADAM17MAOBFFAR1KMT2A
SCHEMBL17817801 0.78 NR4A2 (0.50) NR4A2ADAM17MAOBFFAR1KMT2A
SCHEMBL7810973 0.75 AKR1C1 (0.55) NR4A2ADAM17MAOBKMT2ASMPD1
SCHEMBL7807417 0.73 ADAM17 (0.57) NR4A2ADAM17MAOBKMT2ASMN1; SMN2
SCHEMBL6584414 0.73 CYP4F2 (0.51) NR4A2ADAM17MAOBCYP4F2CYP4A11
SCHEMBL2959082 0.73 CYP4F2 (0.51) NR4A2ADAM17MAOBCYP4F2CYP4A11

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