SCHEMBL9320133

SCHEMBL9320133

CC(=O)c1ccc2c(c1)C=C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
CYP2A6 P11509 1/20 0.47
PKM P14618 1/20 0.45
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRKCI P41743 1/20 0.44
ALDH1A1 P00352 1/20 0.44
S100A4 P26447 1/20 0.44
HSD17B1 P14061 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA5A P35218 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL9123084 0.80 TSHR (0.52) MAPTL3MBTL1ALDH1A1SMN1; SMN2CA5A
SCHEMBL1974334 0.78 LMNA (0.33) MAPTLMNAL3MBTL1
SCHEMBL6231834 0.78 ALDH1A1 (0.39) ALDH1A1
Hydrochloric Acid SCHEMBL9365820 0.78 TSHR (0.50) MAPTL3MBTL1ALDH1A1SMN1; SMN2CA5A
SCHEMBL9295482 0.78 PTPRC (0.62) MAPTHPGDKMT2ALMNAALDH1A1
SCHEMBL28499949 0.76 NQO2 (0.31) MAPTKMT2ALMNA
SCHEMBL28440733 0.76 MAPT (0.55) MAPTRAB9ANPC1CYP2A6PKM
SCHEMBL9542326 0.75 ATM (0.58) RAB9ANPC1KMT2ALMNAL3MBTL1
SCHEMBL50646 0.74 MAPT (0.68) MAPTRAB9ANPC1HPGDKMT2A
SCHEMBL834744 0.74 CYP2A6 (0.68) MAPTRAB9ANPC1CYP2A6PKM

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
US-5349095-A Process for preparing hydroxyalkylbenzocyclobutenes THE DOW CHEMICAL COMPANY (US) 1994-09-20 US disclosed