SCHEMBL9871982

SCHEMBL9871982

COc1[c]cc(S(C)(=O)=O)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
NPBWR1 P48145 1/20 0.34
GLA P06280 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
PTAFR P25105 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
ALPL P05186 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL7046102 0.84 ALDH1A1 (0.39) SMN1; SMN2PKMTRPV4TSHRALDH1A1
SCHEMBL592705 0.73 CYP3A4 (0.39) SMN1; SMN2TSHRALDH1A1KDM4ECA12
SCHEMBL8126924 0.73 ALDH1A1 (0.53) ALDH1A1GAAPOLBMAPK1LMNA
SCHEMBL1374507 0.73 ALDH1A1 (0.39) SMN1; SMN2PKMTRPV4TSHRALDH1A1
SCHEMBL1637863 0.70 ACHE (0.39) KDM4ECA9CYP19A1
SCHEMBL7684229 0.69 TAAR1 (0.44) TSHRALDH1A1GAAMAPK1KDM4E
SCHEMBL1423798 0.69 EGFR (0.31) SMN1; SMN2PKM
SCHEMBL1096159 0.69 SMN1; SMN2 (0.47) SMN1; SMN2PKMTRPV4TSHRGAA
SCHEMBL9166696 0.68 TUBB1 (0.38) ALDH1A1GAAPOLBKDM4E
SCHEMBL7255898 0.68 ACHE (0.33) ALDH1A1MAPK1LMNACA9

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-5049560-A Anticoagulants, platelet activating factor SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1991-09-17 US disclosed