SCHEMBL7969170

SCHEMBL7969170

CNC(=S)C(OC)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ LPAR1 Q92633 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL16858325 0.86 SMN1; SMN2 (0.45) SMN1; SMN2POLBFABP4FABP5LPAR1
SCHEMBL29368766 0.86 SMN1; SMN2 (0.45) SMN1; SMN2POLBFABP4FABP5LPAR1
SCHEMBL29354984 0.86 SMN1; SMN2 (0.45) SMN1; SMN2POLBFABP4FABP5LPAR1
SCHEMBL182597 0.86 SMN1; SMN2 (0.45) SMN1; SMN2POLBFABP4FABP5LPAR1
SCHEMBL230669 0.86 SMN1; SMN2 (0.45) SMN1; SMN2POLBFABP4FABP5LPAR1
SCHEMBL29365871 0.86 SMN1; SMN2 (0.45) SMN1; SMN2POLBFABP4FABP5LPAR1
SCHEMBL29371189 0.86 SMN1; SMN2 (0.45) SMN1; SMN2POLBFABP4FABP5LPAR1
SCHEMBL7972543 0.84 SMN1; SMN2 (0.47) SMN1; SMN2POLBFABP4FABP5LPAR1
Acetamide SCHEMBL28557945 0.83 MEN1 (0.42) SMN1; SMN2POLBNPC1RAB9AMAPT
SCHEMBL15375590 0.82 FABP4 (0.54) SMN1; SMN2NPC1RAB9AMAPTFABP4

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
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