SCHEMBL9717396

SCHEMBL9717396

C=C(c1ccccc1)c1ccc(C(C)C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 3/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
TRPA1 O75762 3/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9717427 0.86 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL9633880 0.85 MAPT (0.44) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL9522375 0.84 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL9522384 0.84 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL6547367 0.79 MEN1 (0.53) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL111850 0.78 TRPA1 (0.47) MEN1KMT2ALMNAALDH1A1TRPA1
SCHEMBL60688 0.78 TRPA1 (0.47) MEN1KMT2ALMNAALDH1A1TRPA1
SCHEMBL717611 0.78 TRPA1 (0.47) MEN1KMT2ALMNAALDH1A1TRPA1
SCHEMBL292576 0.78 TRPA1 (0.47) MEN1KMT2ALMNAALDH1A1TRPA1
SCHEMBL8833495 0.77 TSHR (0.50) KMT2ASMN1; SMN2MAPTALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP disclosed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US disclosed
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP disclosed