SCHEMBL25732142

SCHEMBL25732142

O=C1CC(c2ccccc2)Cc2ccc3c(c21)CCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CYP19A1 P11511 1/20 0.40
KIF11 P52732 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAP1LC3B Q9GZQ8 5/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GRM5 P41594 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.37
MTNR1A P48039 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4688533 0.79 KIF11 (0.46) CYP19A1KIF11GAAHSD17B10MTNR1A
SCHEMBL338965 0.74 MTNR1A (0.44) MTNR1A
SCHEMBL23480266 0.69 CYP19A1 (0.49) LMNACYP19A1GAAMAPTMAP1LC3B
SCHEMBL21986022 0.69 ALOX15 (0.39) KIF11ALOX15MTNR1A
SCHEMBL23716873 0.69 ALOX15 (0.39) KIF11ALOX15MTNR1A
SCHEMBL23716860 0.69 ALOX15 (0.39) KIF11ALOX15MTNR1A
SCHEMBL4685390 0.68 KIF11 (0.41) KIF11MTNR1A
SCHEMBL4685386 0.68 KIF11 (0.41) KIF11MTNR1A
SCHEMBL6124100 0.67 CYP19A1 (0.77) CYP19A1GAAMAPTMAP1LC3BKMT2A
SCHEMBL8473758 0.64 PTPRC (0.42) LMNAMAPTKMT2AMEN1GRM5

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-2023122754-A1 PROCESSES AND INTERMEDIATES FOR PREPARING GB13, GB22 AND HIMGALINE THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed