SCHEMBL13465760

SCHEMBL13465760

CCOC(=O)CC1=C(C)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 3/20 0.40
CYP2D6 P10635 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP4Z1 Q86W10 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 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
SCHEMBL28898279 0.81
SCHEMBL12616313 0.80 HSP90AB1 (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29110656 0.79 GSTP1 (0.35)
SCHEMBL11066828 0.79 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5401319 0.78 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12418259 0.77 SMN1; SMN2 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4723143 0.77 MEN1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8951805 0.77 CYP2C19 (0.31)
SCHEMBL28914492 0.77 RXRA (0.35) GAAALDH1A1HSD17B10LMNACA2
SCHEMBL16322472 0.76 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1

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-2012140243-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2012-10-18 WO disclosed