SCHEMBL7969346

SCHEMBL7969346

CNC(=O)C(COc1ncc(C(F)(F)F)cc1Cl)(OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LIPE Q05469 1/20 0.46
▸ FFAR1 O14842 1/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ POLB P06746 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ XBP1 P17861 1/20 0.42

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
SCHEMBL11078962 0.71 SMN1; SMN2 (0.53) MRGPRX4LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL22809604 0.71 CYP1A2 (0.48) MRGPRX4LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL22809557 0.70 CYP1A2 (0.53) MRGPRX4LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL7972466 0.70 KCNN4 (0.43) LMNASMN1; SMN2CYP1A2CYP2C19HPGD
SCHEMBL6743790 0.69 MRGPRX4 (0.71) MRGPRX4LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL12495523 0.69 CYP2C9 (0.52) LMNASMN1; SMN2CYP1A2GAAKMT2A
SCHEMBL31568518 0.69 MRGPRX4 (0.67) MRGPRX4LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8370602 0.69 HIF1A (0.50) MRGPRX4LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8370605 0.69 HIF1A (0.50) MRGPRX4LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL7959238 0.69 KCNN4 (0.44) LMNACYP2C19POLBGAAKMT2A

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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