SCHEMBL8633206

SCHEMBL8633206

CCCCCC#CC/C=C/CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.42
HMGCR P04035 5/20 0.42
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNB2 Q08289 1/20 0.35

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
SCHEMBL11800093 0.82 ABCG2 (0.42) PTPN7HMGCRMEN1ALDH1A1KMT2A
SCHEMBL11800091 0.82 ABCG2 (0.42) PTPN7HMGCRMEN1ALDH1A1KMT2A
SCHEMBL9715105 0.79 PTPN7 (0.38) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL8463186 0.79 HMGCR (0.47) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL8463179 0.79 HMGCR (0.47) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL31509137 0.79 ABCG2 (0.49) PTPN7HMGCRRECQLMEN1USP2
SCHEMBL11178921 0.79 ABCG2 (0.49) PTPN7HMGCRRECQLMEN1USP2
SCHEMBL9715107 0.79 PTPN7 (0.38) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL14691063 0.78 HMGCR (0.45) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL14691061 0.78 HMGCR (0.45) PTPN7HMGCRRECQLTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691963-B1 HEPOXILIN ANALOGS USEFUL AS ANTI-INFLAMMATORY AGENTS HSC RES DEV LP (CA) 1998-07-15 EP disclosed
US-5616607-A TREATS INFLAMMATION, ASTHMA, HYPERTENSION, MIGRAINE AND SEPTIC SHOCK HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 1997-04-01 US disclosed
EP-0691963-A1 HEPOXILIN ANALOGS USEFUL AS ANTI-INFLAMMATORY AGENTS HSC Research and Development Limited Partnership (CA) 1996-01-17 EP disclosed
WO-1994022848-A1 HEPOXILIN ANALOGS USEFUL AS ANTI-INFLAMMATORY AGENTS PACE ASCIAK CECIL R (CA) 1994-10-13 WO disclosed