SCHEMBL8675986

SCHEMBL8675986

C=CC=CC(C=Cc1ccccc1)C(=C)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASP1 P29466 1/20 0.45
ALDH1A1 P00352 7/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
MAPT P10636 3/20 0.42
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
CYP3A4 P08684 1/20 0.39
GRM4 Q14833 1/20 0.38
HPGD P15428 3/20 0.38
ADORA3 P0DMS8 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
DHFR P00374 1/20 0.37

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
SCHEMBL8677173 0.88 KDM4E (0.47) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6686282 0.88 MEN1 (0.42) MEN1KMT2ACASP1ALDH1A1LMNA
SCHEMBL8675032 0.86 KDM4E (0.43) ALDH1A1LMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL34195 0.86 CYP3A4 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9657897 0.83 CASP1 (0.53) MEN1KMT2ACASP1ALDH1A1LMNA
Vinyl Chloride SCHEMBL9625391 0.82 LMNA (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL10894242 0.82 MGLL (0.46) ALDH1A1
SCHEMBL35354 0.81 CASP1 (0.47) MEN1KMT2ACASP1ALDH1A1LMNA
SCHEMBL2673413 0.81 CYP3A4 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL196269 0.81 CYP3A4 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763515-A COMPRISING AN IMPACT ADDITIVES FOR IMPROVING THE IMPACT STRENGTH ELF ATOCHEM NORTH AMERICA INC. (US) 1998-06-09 US disclosed
US-5693699-A INCLUDING METHACRYLIC ALKYL ESTER-BUTADIENE-STYRENE RESIN OR AN ACRYLIC RESIN; IMPACT STRENGTH; MATERIALS HANDLING; STORAGE STABILITY ELF ATOCHEM NORTH AMERICA INC. (US) 1997-12-02 US disclosed