SCHEMBL4624388

SCHEMBL4624388

COC(=O)NCc1cc(/C(C)=N/OCc2ccc(F)cc2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.50
▸ PPARG P37231 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ TSHR P16473 1/20 0.44
▸ S1PR3 Q99500 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PTBP1 P26599 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL4624392 1.00 S1PR1 (0.50) S1PR1PPARGPPARATSHRS1PR3
SCHEMBL18243 0.83 NPC1 (0.49) S1PR1PPARGPPARATSHRS1PR3
SCHEMBL3236733 0.83 NPC1 (0.49) S1PR1PPARGPPARATSHRS1PR3
SCHEMBL12557293 0.82 S1PR1 (0.47) S1PR1PPARGPPARAS1PR3LMNA
SCHEMBL3326140 0.80 TSHR (0.42) PPARGPPARATSHRSMN1; SMN2NPC1
SCHEMBL3326135 0.80 TSHR (0.42) PPARGPPARATSHRSMN1; SMN2NPC1
SCHEMBL3324966 0.79 TSHR (0.41) PPARGPPARATSHRSMN1; SMN2NPC1
SCHEMBL3324965 0.79 TSHR (0.41) PPARGPPARATSHRSMN1; SMN2NPC1
SCHEMBL3323523 0.78 TSHR (0.49) PPARGTSHRLMNASMN1; SMN2MEN1
SCHEMBL3323521 0.78 TSHR (0.49) PPARGTSHRLMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1201648-B1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-04-02 — — EP disclosed
US-6812229-B1 OXIME SUBSTITUTED PHENYL; RAIN-FAST WITHOUT CROP DAMAGE; CUCUMBER DOWNY MILDEW, APPLE SCAB, WHEAT POWDERY MILDEW, RICE BLAST, CUCUMBER GRAY MOLD, RICE SHEATH BLIGHT, WHEAT BROWN LEAF RUST, WHEAT SEPTORIA LEAF BLOTCH AND CUCUMBER STEM ROT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-11-02 — — US disclosed
EP-1201648-A1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-05-02 — — EP disclosed
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