SCHEMBL9749521

SCHEMBL9749521

O=C(O)/C=C/C(=O)OC(=O)CCC(=O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.48
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 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
SCHEMBL5064772 1.00 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL29222103 0.98 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL27869371 0.93 HCAR2 (0.43) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL6150290 0.91 HCAR2 (0.45) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL15260447 0.91 HCAR2 (0.45) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL29148759 0.91 HCAR2 (0.45) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL27558800 0.89 HCAR2 (0.41) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL5681276 0.89 HCAR2 (0.44) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL28896894 0.87 ALDH1A1 (0.56) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL6403988 0.87 ALDH1A1 (0.56) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106190936-B Bacterium and construction method and application thereof 上海交通大学 2020-07-10 CN claimed
CN-106190901-B Bacterium and obtaining method and application thereof 上海交通大学 2020-06-26 CN claimed
CN-106190936-B Bacterium and construction method and application thereof 上海交通大学 2020-07-10 CN disclosed
CN-106190901-B Bacterium and obtaining method and application thereof 上海交通大学 2020-06-26 CN disclosed
WO-2016164810-A1 PLANTS WITH ENHANCED YIELD AND METHODS OF CONSTRUCTION METABOLIX, INC. (US) 2016-10-13 WO disclosed
US-20140134687-A1 MODIFIED MICROORGANISMS AND METHODS OF USING SAME FOR PRODUCING BUTADIENE AND SUCCINATE BRASKEM S/A AP 09 (BR) 2014-05-15 US disclosed
US-5112834-A Antisecretory and antiulcer BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-05-12 US disclosed
WO-1985002116-A1 MEDIUM FOR STORING BLOOD PLATELETS THOMAS JEFFERSON UNIVERSITY (US) 1985-05-23 WO disclosed
US-4145557-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4062895-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-12-13 US disclosed
US-4001322-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3972934-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1976-08-03 US disclosed