SCHEMBL28115102

SCHEMBL28115102

Cc1cc(CN)c(O)c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
SHBG P04278 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL31092533 0.79 GABRA1 (0.41) CA1CA2SHBGALDH1A1KDM4E
SCHEMBL24672233 0.79 GABRA1 (0.41) CA1CA2SHBGALDH1A1KDM4E
SCHEMBL31319534 0.78 ALDH1A1 (0.36) MAPTALDH1A1CYP1A2ALOX15CASP7
SCHEMBL436433 0.78 ALDH1A1 (0.36) MAPTALDH1A1CYP1A2ALOX15CASP7
Water SCHEMBL10401165 0.76 ALDH1A1 (0.34) MAPTALDH1A1CYP1A2ALOX15CASP7
Hydrochloric Acid SCHEMBL2965179 0.76 ALDH1A1 (0.34) MAPTALDH1A1CYP1A2ALOX15CASP7
SCHEMBL15966095 0.73 AMY1A (0.48) CA2LMNAMAPTALDH1A1KDM4E
SCHEMBL11675060 0.73 CYP3A4 (0.41) CA1CA2LMNAMAPTSHBG
SCHEMBL6560610 0.73 ALDH1A1 (0.52) CA1CA2LMNAMAPTSHBG
SCHEMBL29450177 0.73 ALDH1A1 (0.52) CA1CA2LMNAMAPTSHBG

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
CN-106350495-B A kind of protein of Culm of Rice development related gene and its coding 四川农业大学 2019-12-03 CN disclosed
CN-106350495-A Rice stalk growth related gene and protein encoded thereby 四川农业大学 2017-01-25 CN disclosed