SCHEMBL9027832

SCHEMBL9027832

CCCC[Sn](CCCC)(CCCC)c1cccc(C(F)=CC(=COC)C(=O)Oc2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.31
CNR2 P34972 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G4B P0C869 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
CNR1 P21554 1/20 0.30
KAT6A Q92794 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9029116 0.77 MEN1 (0.39) KMT2AMEN1ALDH1A1CYP1A2GAA
SCHEMBL9028837 0.73 CNR2 (0.40) CNR2KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL30185957 0.70 KMT2A (0.46) KMT2APLA2G4B
SCHEMBL1884032 0.70 KMT2A (0.46) KMT2APLA2G4B
SCHEMBL2392823 0.67 HPGD (0.47) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL8979725 0.66 PARP1 (0.46) KMT2AMEN1TSHR
SCHEMBL317948 0.66 RAB9A (0.52) KMT2AALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL16719066 0.65 SLC2A1 (0.40) KMT2AALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL1255316 0.64 ACHE (0.41) ALDH1A1CYP3A4TSHRGAAMAPT
SCHEMBL9028261 0.64 ELANE (0.38) KMT2AALDH1A1GAAMAPT

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-0544587-B1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-05-29 EP disclosed
EP-0544587-A1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-06-02 EP disclosed