SCHEMBL7366441

SCHEMBL7366441

CC(=O)O[C@]1(O[SiH](c2ccccc2)c2ccccc2)CC[C@@H](C(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ATM Q13315 2/20 0.33
GAA P10253 3/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
OPRL1 P41146 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8576107 0.80
SCHEMBL8596797 0.80
SCHEMBL7339045 0.78 ALDH1A1 (0.34) GLAALDH1A1ATMGAAMAPT
SCHEMBL7344540 0.78 ALDH1A1 (0.34) GLAALDH1A1ATMGAAMAPT
SCHEMBL10437852 0.76 GLA (0.40) GLAALDH1A1ATMGAAALOX15
SCHEMBL10437849 0.76 GLA (0.40) GLAALDH1A1ATMGAAALOX15
SCHEMBL4122288 0.73 GAA (0.39) GLAALDH1A1ATMGAARXRA
SCHEMBL4113192 0.71 ALDH1A1 (0.40) GLAALDH1A1ATMGAARXRA
SCHEMBL6951868 0.68 GLA (0.32) GLA
SCHEMBL4125650 0.65 CYP3A4 (0.32) ALDH1A1GAAMAPTCYP2C9CYP2C19

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-1996031476-A1 AROMATIC HYDROXYETHERS RHONE-POULENC RORER LIMITED (GB) 1996-10-10 WO disclosed