SCHEMBL7110907

SCHEMBL7110907

CC(C)(C)OC(=O)C=Cc1ccccc1CC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ TBXAS1 P24557 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ PTGER3 P43115 3/20 0.39
▸ PTGER2 P43116 3/20 0.39
▸ PTGER4 P35408 2/20 0.39
▸ BACE1 P56817 1/20 0.37
▸ CTSS P25774 7/20 0.37
▸ CTSK P43235 6/20 0.37

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
SCHEMBL18069237 0.84 LMNA (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL30782971 0.84 LMNA (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL11549449 0.82 CA12 (0.46) LMNACYP3A4PTGER3PTGER2PTGER4
SCHEMBL11549443 0.82 CA12 (0.46) LMNACYP3A4PTGER3PTGER2PTGER4
SCHEMBL5474595 0.81 LMNA (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL5474591 0.81 LMNA (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL20920563 0.81 LMNA (0.50) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL28354000 0.80 PTGER3 (0.53) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL3507042 0.77 NFE2L2 (0.40) CYP2C9CYP2C19PTGER3PTGER2PTGER4
SCHEMBL3507046 0.77 NFE2L2 (0.40) CYP2C9CYP2C19PTGER3PTGER2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004002947-A1 PHENOXYPROPENYLPHENYL DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 — — WO disclosed
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