SCHEMBL28115075

SCHEMBL28115075

CCC12C=CC(C1)C(C(=O)O)C2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
GRM4 Q14833 4/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL9722128 0.85 GRM4 (0.32) GRM2GRM3GRM4CYP2C19MEN1
SCHEMBL983567 0.73 ALOX5 (0.32)
SCHEMBL7050131 0.72 LMNA (0.40) CYP2C19MEN1ALDH1A1KMT2ACYP2D6
SCHEMBL31533275 0.72 APLNR (0.35) GRM4CYP2C19MEN1ALDH1A1CYP1A2
SCHEMBL7048008 0.72 HTR7 (0.36)
SCHEMBL7047190 0.71
SCHEMBL23426218 0.70
SCHEMBL8051059 0.68 GRM2 (0.34) GRM2GRM4CYP2C19MEN1ALDH1A1
SCHEMBL7047891 0.62 HSD11B1 (0.33) MEN1KMT2A
SCHEMBL7048784 0.62 SLC6A12 (0.30)

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
CN-106094432-A COLORED CURABLE RESIN COMPOSITION 住友化学株式会社 2016-11-09 CN disclosed