SCHEMBL13609787

SCHEMBL13609787

C=C(C)C(=O)OCCCc1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
PKM P14618 2/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HCRTR1 O43613 1/20 0.50
SLC6A4 P31645 1/20 0.50
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL7088464 0.92 MEN1 (0.58) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL31536561 0.87 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL13609786 0.84 PKM (0.55) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL19410724 0.81 ALDH1A1 (0.64) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL13609790 0.81 NR4A2 (0.57) SMN1; SMN2CYP1A2CYP2D6CYP2C9ALDH1A1
SCHEMBL6306691 0.79 ERAP1 (0.41) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL29782982 0.78 LMNA (0.64) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL6706832 0.78 LMNA (0.64) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
Indole-3-Acetic Acid SCHEMBL30836948 0.78 KMT2A (0.51) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL20619402 0.76 ALDH1A1 (0.64) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6

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
US-8338529-B2 Oil repellent copolymer, method for its production and oil repellent treatment solution ASAHI GLASS COMPANY, LIMITED (JP) 2012-12-25 US disclosed
US-20090281239-A1 OIL REPELLENT COPOLYMER, METHOD FOR ITS PRODUCTION AND OIL REPELLENT TREATMENT SOLUTION ASAHI GLASS COMPANY LIMITED (JP) 2009-11-12 US disclosed