SCHEMBL9744479

SCHEMBL9744479

CCOC(=O)C1Cc2c1ccc1c2CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.48
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NLRP3 Q96P20 3/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TLR4 O00206 1/20 0.35
RXRA P19793 1/20 0.35

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
SCHEMBL9742808 0.77 BCL2L1 (0.39) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4247872 0.74 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4250506 0.73 DHFR (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21722418 0.72 NR1D1 (0.44) NR1D1MAPTALDH1A1MEN1KMT2A
SCHEMBL21733882 0.70 NR1D1 (0.42) NR1D1MAPTALDH1A1MEN1KMT2A
SCHEMBL7263632 0.70 ALDH1A1 (0.52) NR1D1MAPTALDH1A1MEN1KMT2A
SCHEMBL10512434 0.69 CYP4F2 (0.55) NR1D1MAPTALDH1A1MEN1KMT2A
SCHEMBL23088507 0.69 MEN1 (0.52) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2115724 0.69 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7258110 0.68 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AKDM4E

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
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 US disclosed