SCHEMBL7801800

SCHEMBL7801800

COC=C(Oc1ccc(Cl)cc1C(=O)OCC(F)(F)F)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
KMT2A Q03164 3/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35

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
SCHEMBL7801797 1.00 LMNA (0.38) LMNATDP1L3MBTL1CYP11B1CYP11B2
SCHEMBL7804547 0.88 LMNA (0.42) LMNATDP1L3MBTL1KMT2AALDH1A1
SCHEMBL7804550 0.88 LMNA (0.42) LMNATDP1L3MBTL1KMT2AALDH1A1
SCHEMBL7803883 0.87 KMT2A (0.37) KMT2AALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL7801802 0.87 LMNA (0.39) LMNATDP1L3MBTL1CYP11B1CYP11B2
SCHEMBL7801805 0.87 LMNA (0.39) LMNATDP1L3MBTL1CYP11B1CYP11B2
SCHEMBL7805468 0.87 ABL1 (0.46) LMNATDP1CYP11B1CYP11B2KMT2A
SCHEMBL7805464 0.87 ABL1 (0.46) LMNATDP1CYP11B1CYP11B2KMT2A
SCHEMBL7801819 0.86 ALDH1A1 (0.42) LMNATDP1L3MBTL1KMT2AALDH1A1
SCHEMBL7803839 0.86 ALDH1A1 (0.49) LMNATDP1L3MBTL1KMT2AALDH1A1

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-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed