SCHEMBL7688665

SCHEMBL7688665

COC=C(Oc1cccc(CBr)c1)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ACHE P22303 4/20 0.39
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP13 P45452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MEP1B Q16820 1/20 0.36

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
SCHEMBL7688662 1.00 CYP4F2 (0.40) CYP4F2CYP4A11ACHEALDH1A1HTT
SCHEMBL7688667 0.89 MTNR1A (0.44) CYP4F2CYP4A11ACHEALDH1A1HTT
SCHEMBL8022470 0.82 CTBP2 (0.37) ACHEALDH1A1HTTSMN1; SMN2MMP13
SCHEMBL7695017 0.80 LMNA (0.54) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7695019 0.80 LMNA (0.54) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8026283 0.78 NPC1 (0.48) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL10760573 0.78 EPHX1 (0.46)
SCHEMBL8026280 0.78 NPC1 (0.48) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL26418742 0.77 PKM (0.39) CYP4F2CYP4A11ACHEALDH1A1SMN1; SMN2
SCHEMBL23796701 0.77 TRPV1 (0.41) ACHEHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10218839-A None JP disclosed
US-6337306-B1 HERBICIDES FOR AGRICULTURE RHONE-POULENC AGRO (FR) 2002-01-08 US disclosed
EP-0961766-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES Rhone Poulenc Agro (FR) 1999-12-08 EP disclosed
JP-H10218839-A PHENOXYACETIC ACID DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL HERBICIDE CONTAINING THE DERIVATIVE MITSUBISHI CHEM CORP 1998-08-18 JP disclosed
WO-1998034898-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRO (FR) 1998-08-13 WO disclosed