SCHEMBL7378663

SCHEMBL7378663

CCCOCCOc1ccc(S(=O)(=O)CC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CA7 P43166 2/20 0.49
MMP1 P03956 2/20 0.48
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.45
RARB P10826 2/20 0.45
FFAR1 O14842 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP3 P08254 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ADAMTS4 O75173 1/20 0.42

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
SCHEMBL7382683 0.93 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBCA12CA1
SCHEMBL7383054 0.91 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1POLBCA12CA1
SCHEMBL7385220 0.90 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1POLBCA12CA1
SCHEMBL7376284 0.88 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1POLBCA12CA1
SCHEMBL7384937 0.84 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1POLBCA12CA1
SCHEMBL7376732 0.82 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1POLBCA12CA1
SCHEMBL7377086 0.80 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1POLBCA12CA1
SCHEMBL7386389 0.80 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1POLBCA12CA1
SCHEMBL7382681 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBCA12CA1
SCHEMBL17997015 0.79 MMP1 (0.55) SMN1; SMN2ALDH1A1POLBCA12CA1

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