SCHEMBL30904841

SCHEMBL30904841

CN(C)/C=C/C(=O)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
P2RX1 P51575 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RECQL P46063 2/20 0.41
CES2 O00748 1/20 0.41
CXCL12 P48061 1/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX12 P18054 1/20 0.40
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL320250 1.00 GAA (0.70) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL320249 1.00 GAA (0.70) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL1690563 0.89 GAA (0.60) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL327248 0.89 GAA (0.60) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL17709109 0.88 GAA (0.74) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL17709107 0.88 GAA (0.74) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL31083945 0.88 GAA (0.74) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL5662627 0.85 GAA (0.79) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL15011607 0.84 GAA (0.68) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL15011606 0.84 GAA (0.68) GAAALDH1A1KDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612143-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2025-09-10 EP disclosed
WO-2024094575-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2024-05-10 WO disclosed