SCHEMBL28098183

SCHEMBL28098183

CC(=O)OC(=O)CCCc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
CYP1A2 P05177 2/20 0.72
CYP2C19 P33261 2/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
ALDH1A1 P00352 7/20 0.65
KDM4E B2RXH2 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 7/20 0.59
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
HPGD P15428 2/20 0.56
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 2/20 0.56
PKM P14618 1/20 0.56
BLM P54132 1/20 0.56
HCRTR1 O43613 1/20 0.55

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
SCHEMBL28863418 0.92 SMN1; SMN2 (0.75) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL3715443 0.86 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL1358575 0.86 CYP1A2 (0.76) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL10344942 0.84 ALDH1A1 (0.68) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL9374131 0.84 SMN1; SMN2 (1.00) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL28190330 0.83 SMN1; SMN2 (0.71) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL22076496 0.83 MAPT (0.67) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL28861683 0.83 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9368572 0.83 SMN1; SMN2 (0.97) SMN1; SMN2CYP1A2CYP2C19CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9369222 0.83 SMN1; SMN2 (0.97) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105961110-A Method for improving yield and quality of macadamia nut 广西南亚热带农业科学研究所 2016-09-28 CN claimed
CN-106105473-B A method of promote Phoebe bournei seed to sprout 广西壮族自治区林业科学研究院 2019-01-15 CN disclosed
CN-106105473-A A kind of method promoting Phoebe bournei seed germination 广西壮族自治区林业科学研究院 2016-11-16 CN disclosed