SCHEMBL30003718

SCHEMBL30003718

CCCCc1cc2c(cc1CCCC)C(=O)C(C)=CC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
HSPD1 P10809 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
CDC25A P30304 2/20 0.43
CDC25B P30305 2/20 0.43
BLM P54132 2/20 0.43
HSPE1 P61604 2/20 0.43
KMT2A Q03164 2/20 0.43
TST Q16762 2/20 0.43
PKM P14618 2/20 0.43
PLIN1 O60240 1/20 0.43
NR1I2 O75469 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL23271936 1.00 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1TP53
SCHEMBL30003715 0.81 ALOX5 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1TP53
SCHEMBL30003420 0.81 PTPN1 (0.36) ALOX5PTPN1SOAT1CTRCS100A4
SCHEMBL30003394 0.81 PTPN1 (0.40) PKMALOX5PTPN1SOAT1KDM4E
SCHEMBL23271774 0.81 CTRC (0.39) ALOX5PTPN1SOAT1CTRCS100A4
SCHEMBL23271932 0.81 PTPN1 (0.40) PKMALOX5PTPN1SOAT1KDM4E
SCHEMBL23271941 0.81 PTPN1 (0.36) ALOX5PTPN1SOAT1CTRCS100A4
SCHEMBL23271779 0.81 ALOX5 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1TP53
SCHEMBL30003983 0.81 CTRC (0.39) ALOX5PTPN1SOAT1CTRCS100A4
SCHEMBL23271767 0.80 MAOA (0.42) ALDH1A1MAPTSMN1; SMN2MEN1HPGD

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed