SCHEMBL7977541

SCHEMBL7977541

CCOC(=O)CCCCCCCC1(C(=O)OCC)CC2=C(C1)C(=O)C(OC)=C(OC)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
APEX1 P27695 3/20 0.35
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.34
EPHX2 P34913 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
KMT2A Q03164 3/20 0.33
TNF P01375 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7961051 0.90 ALDH1A1 (0.37) APEX1ALDH1A1KMT2AMEN1
SCHEMBL7974447 0.88 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1TDP1CYP3A4
SCHEMBL7977575 0.82 RAB9A (0.46) ALDH1A1CYP1A2TSHRCYP3A4KMT2A
SCHEMBL7971427 0.80 CYP1A2 (0.36) CYP4F2CYP4A11NAMPTALDH1A1CYP1A2
SCHEMBL7971395 0.73 ALDH1A1 (0.44) CYP4F2CYP4A11APEX1NAMPTALDH1A1
SCHEMBL7974479 0.70 IMPDH1 (0.37) ALDH1A1TDP1TSHRALOX15HSD17B10
SCHEMBL7329653 0.69 TDP1 (0.66) CYP4F2CYP4A11APEX1ALDH1A1CYP1A2
SCHEMBL7974475 0.68 CYP4F2 (0.43) CYP4F2CYP4A11APEX1TDP1CYP3A4
SCHEMBL798044 0.67 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL7974599 0.67 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1KMT2AMEN1

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
JP-10273469-A None JP disclosed
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
JP-H10273469-A BICYCLIC QUINONE DERIVATIVE, PRODUCTION AND AGENT TAKEDA CHEM IND LTD 1998-10-13 JP disclosed