SCHEMBL7385137

SCHEMBL7385137

CC(=O)C[S+]([O-])c1ccc(OC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
KMT2A Q03164 2/20 0.46
PARP10 Q53GL7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.41
ACACB O00763 7/20 0.41
ACACA Q13085 2/20 0.41
ALDH1A3 P47895 1/20 0.40
TSPO P30536 1/20 0.39
MAPT P10636 2/20 0.38
NLRP1 Q9C000 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7383378 0.86 ACACB (0.42) POLBKMT2AACACBMAPT
SCHEMBL7376074 0.81 CA1 (0.43) PARP10ALDH1A1MAPT
SCHEMBL7384542 0.79 LMNA (0.47) POLBKMT2APARP10ALDH1A1MAPT
SCHEMBL7376687 0.77 ACACB (0.37) POLBKMT2AALDH1A1ACACBMAPT
SCHEMBL7381291 0.76 L3MBTL1 (0.46) KMT2AALDH1A1ACACBMAPTKDM4E
SCHEMBL254515 0.75 ALDH1A1 (0.37) POLBKMT2AALDH1A1MAPTNLRP1
SCHEMBL7382446 0.75 CA2 (0.36) KMT2AALDH1A1MAPTKDM4E
SCHEMBL9233400 0.73 ALDH1A3 (0.38) POLBKMT2APARP10ALDH1A1GLA
SCHEMBL8497023 0.73 MTNR1A (0.37) KMT2A
SCHEMBL2786249 0.73 ALDH1A3 (0.47) POLBKMT2APARP10ALDH1A1GLA

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-4889866-A CARDIOVASCULAR DISEASES, HYPOTENSIVE AGENTS, CONGESTIVE HEART FAILURE SYNTEX (U.S.A.) INC. (US) 1989-12-26 US disclosed