SCHEMBL7688667

SCHEMBL7688667

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP13 P45452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.40
MEP1B Q16820 1/20 0.40
CYP1A2 P05177 1/20 0.40

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 0.89 CYP4F2 (0.40) MTNR1AMTNR1BCYP4F2CYP4A11ALDH1A1
SCHEMBL7688665 0.89 CYP4F2 (0.40) MTNR1AMTNR1BCYP4F2CYP4A11ALDH1A1
SCHEMBL8022472 0.81 CTBP2 (0.41) MTNR1AMTNR1BALDH1A1HTTSMN1; SMN2
SCHEMBL7695022 0.79 LMNA (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8486182 0.78 CES2 (0.41) MTNR1AMTNR1BALDH1A1HTTSMN1; SMN2
SCHEMBL3407357 0.77 CYP3A4 (0.58) CYP4F2CYP4A11MEN1KMT2ALMNA
SCHEMBL8026284 0.77 NPC1 (0.54) MTNR1AMTNR1BALDH1A1HTTSMN1; SMN2
SCHEMBL9339409 0.74 ESR1 (0.65) SMN1; SMN2MMP13MEN1KMT2ALMNA
SCHEMBL5258931 0.74 ACHE (0.58) SMN1; SMN2KMT2ALMNAACHECYP1A2
SCHEMBL29351751 0.74 TAAR1 (0.60)

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