SCHEMBL7972490

SCHEMBL7972490

COC(=O)C(CS)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
LPAR1 Q92633 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 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
SCHEMBL7970653 0.90 SMN1; SMN2 (0.46) SMN1; SMN2HTTLMNALPAR1ALDH1A1
SCHEMBL3497245 0.85 SMN1; SMN2 (0.48) SMN1; SMN2HTTLMNALPAR1ALDH1A1
SCHEMBL7972543 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTLMNALPAR1ALDH1A1
SCHEMBL7959258 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTLMNALPAR1ALDH1A1
SCHEMBL7959326 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HTTLMNALPAR1ALDH1A1
SCHEMBL7972487 0.81 SMN1; SMN2 (0.44) SMN1; SMN2HTTLMNALPAR1ALDH1A1
SCHEMBL29047063 0.81 TSHR (0.47) SMN1; SMN2HTTLMNALPAR1ALDH1A1
SCHEMBL12317825 0.80 TSHR (0.43) SMN1; SMN2HTTLMNAALDH1A1PTGDR2
SCHEMBL7972492 0.80 SMN1; SMN2 (0.44) SMN1; SMN2HTTLMNALPAR1ALDH1A1
SCHEMBL7972461 0.80 SMN1; SMN2 (0.44) SMN1; SMN2HTTLMNALPAR1ALDH1A1

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