SCHEMBL8896434

SCHEMBL8896434

COC(=O)CCCc1ccc(C(C)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
CYP4A11 Q02928 3/20 0.51
KMT2A Q03164 2/20 0.50
CYP4F2 P78329 2/20 0.50
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL8658445 0.93 HSD17B10 (0.58) HSD17B10CYP4A11KMT2ACYP4F2GAA
SCHEMBL168858 0.89 KMT2A (0.59) HSD17B10CYP4A11KMT2ACYP4F2EPHX2
SCHEMBL22921868 0.89 TSHR (0.58) HSD17B10CYP4A11KMT2ACYP4F2EPHX2
SCHEMBL803447 0.83 HSD17B10 (0.63) HSD17B10CYP4A11KMT2ACYP4F2MAPK1
SCHEMBL12508639 0.82 TSHR (0.50) CYP4A11CYP4F2EPHX2TSHRL3MBTL1
SCHEMBL1928824 0.82 PLAAT3 (0.51) CYP4A11CYP4F2TDP1EPHX2TSHR
SCHEMBL3456495 0.82 CYP4A11 (0.53) HSD17B10CYP4A11KMT2ACYP4F2EPHX2
SCHEMBL1863579 0.82 CALM1 (0.55) HSD17B10CYP4A11CYP4F2EPHX2TSHR
SCHEMBL1866015 0.82 CYP4A11 (0.50) HSD17B10CYP4A11KMT2ACYP4F2TDP1
SCHEMBL3409184 0.82 CYP4A11 (0.68) HSD17B10CYP4A11KMT2ACYP4F2EPHX2

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-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed