SCHEMBL25042462

SCHEMBL25042462

CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 1.00
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 6/20 1.00
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
CYP2D6 P10635 6/20 1.00
MAPT P10636 5/20 1.00
CYP3A4 P08684 4/20 1.00
HPGD P15428 4/20 1.00
HIF1A Q16665 3/20 1.00
USP2 O75604 2/20 1.00
CYP1A2 P05177 2/20 1.00
GAA P10253 1/20 1.00
TAAR1 Q96RJ0 1/20 1.00
RECQL P46063 3/20 0.66
PLEC Q15149 1/20 0.66
DRD3 P35462 7/20 0.64
DRD2 P14416 6/20 0.64
HTR2B P41595 6/20 0.64
HTR6 P50406 6/20 0.64

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
SCHEMBL14029480 1.00 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL178071 1.00 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL30278505 1.00 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL10471429 1.00 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL25042463 1.00 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL7176983 1.00 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL9820435 1.00 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL25042461 1.00 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL257961 1.00 HSD17B10 (1.00) HSD17B10KDM4EALDH1A1MEN1KMT2A
Methyl Alcohol SCHEMBL27814674 0.99 HSD17B10 (0.98) HSD17B10KDM4EALDH1A1MEN1KMT2A

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-2023018480-A1 SELECTIVE PSYCHEDELIC COMPOUNDS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-02-16 WO disclosed