SCHEMBL30003171

SCHEMBL30003171

CCCCCc1ccc2c(c1)C(=O)C(Cl)=C(Cl)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR3 P46089 1/20 0.44
CA2 P00918 1/20 0.44
LPL P06858 5/20 0.42
LIPG Q9Y5X9 5/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41

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
SCHEMBL28379547 1.00 ALDH1A1 (0.46) ALDH1A1LMNANPC1MAPTMAPK1
SCHEMBL23271755 0.95 SMN1; SMN2 (0.47) ALDH1A1LMNANPC1MAPTMAPK1
SCHEMBL30002679 0.90 TDP2 (0.49) ALDH1A1LMNANPC1MAPTMAPK1
SCHEMBL23271915 0.90 TDP2 (0.49) ALDH1A1LMNANPC1MAPTMAPK1
SCHEMBL23271715 0.85 ELANE (0.44) ALDH1A1LMNANPC1MAPTMAPK1
SCHEMBL23271988 0.85 MAOA (0.48) ALDH1A1LMNANPC1MAPTMAPK1
SCHEMBL30003506 0.85 MAOA (0.48) ALDH1A1LMNANPC1MAPTMAPK1
SCHEMBL29531152 0.85 NPC1 (0.66) ALDH1A1LMNANPC1MAPTMAPK1
SCHEMBL37031 0.85 NPC1 (0.66) ALDH1A1LMNANPC1MAPTMAPK1
SCHEMBL23271771 0.84 TDP2 (0.50) ALDH1A1LMNANPC1MAPTMAPK1

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