SCHEMBL8920960

SCHEMBL8920960

CCCCC1CCC2(CC1)C(=O)OC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.44
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 4/20 0.35
MAPK1 P28482 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
TLR4 O00206 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
NAAA Q02083 1/20 0.33
CYP3A4 P08684 3/20 0.32
HIF1A Q16665 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL8920280 0.93 CYP1A2 (0.46) CYP1A2MEN1KMT2AHTTPOLB
SCHEMBL8921793 0.93 CYP1A2 (0.46) CYP1A2MEN1KMT2AHTTPOLB
SCHEMBL10484724 0.78 CYP1A2 (0.47) CYP1A2MEN1KMT2AHTTTDP1
SCHEMBL13593724 0.76 CYP1A2 (0.42) CYP1A2MEN1KMT2AHTTHPGD
SCHEMBL10485268 0.76 CYP1A2 (0.41) CYP1A2MEN1KMT2AHTTHPGD
SCHEMBL10484714 0.74 CYP1A2 (0.47) CYP1A2MEN1KMT2AHTTHPGD
SCHEMBL10485042 0.74 CYP1A2 (0.42) CYP1A2MEN1KMT2AHTTHPGD
SCHEMBL10485030 0.74 CYP1A2 (0.42) CYP1A2MEN1KMT2AHTTHPGD
SCHEMBL10485063 0.73 CYP1A2 (0.39) CYP1A2MEN1KMT2AHTTHPGD
SCHEMBL29051454 0.72 CYP1A2 (0.49) CYP1A2MEN1KMT2AHTTHPGD

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-5668244-A UNSATURATED EPOXIDES TOYO INK MANUFACTURING CO., LTD. (JP) 1997-09-16 US disclosed
EP-0687698-A2 Liquid polyester TOYO INK MANUFACTURING CO., LTD. (JP) 1995-12-20 EP disclosed