SCHEMBL7972492

SCHEMBL7972492

COC(=O)C(c1ccccc1COc1cc(C)ccc1C)[S+](C)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
LPAR1 Q92633 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 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
SCHEMBL3497245 0.85 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7959258 0.82 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7972543 0.82 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7970653 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7972461 0.80 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7972490 0.80 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7959326 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7972487 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL15402290 0.78 TSHR (0.43) SMN1; SMN2LMNAHTTALDH1A1PTGDR2
SCHEMBL4241913 0.78 FABP4 (0.50) SMN1; SMN2LMNAHTTALDH1A1PTGDR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313150-B1 FOR CONTROLLING PHYTOPATHOGENIC FUNGI SHIONOGI & CO., LTD. (JP) 2001-11-06 US disclosed
EP-0754672-B1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO (JP) 2000-10-11 EP disclosed
US-5948819-A α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it SHIONOGI & CO., LTD (JP) 1999-09-07 US disclosed
EP-0754672-A1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-01-22 EP disclosed