SCHEMBL29110997

SCHEMBL29110997

Fc1cc(Cl)ccc1COc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.57
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
DHFR P00374 1/20 0.50
DCPS Q96C86 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
TBXA2R P21731 2/20 0.47
PTGS1 P23219 2/20 0.47
CYP2C19 P33261 2/20 0.47
PTGER1 P34995 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
MAOB P27338 2/20 0.47
AOC3 Q16853 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
WDR5 P61964 1/20 0.45

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
SCHEMBL30080300 0.88 MAOB (0.54) HPDNR4A2NR4A1NR4A3CYP1A2
SCHEMBL23767568 0.88 MAOB (0.54) HPDNR4A2NR4A1NR4A3CYP1A2
SCHEMBL24320979 0.88 HPD (0.56) HPDNR4A2NR4A1NR4A3DHFR
SCHEMBL2560441 0.84 HPD (0.47) HPDNR4A2NR4A1NR4A3DHFR
Hydrochloric Acid SCHEMBL30209276 0.80 HPD (0.52) HPDNR4A2NR4A1NR4A3MAPK14
SCHEMBL17514532 0.79 HPD (0.44) HPDNR4A2NR4A1NR4A3CYP1A2
SCHEMBL23851486 0.78 HPD (0.45) HPDNR4A2NR4A1NR4A3CYP1A2
SCHEMBL23767570 0.78 HPD (0.50) HPDNR4A2NR4A1NR4A3CYP1A2
SCHEMBL22391586 0.78 HTR6 (0.55) HPDHTR6SLC6A4
Hydrochloric Acid SCHEMBL30209286 0.78 HPD (0.47) HPDNR4A2NR4A1NR4A3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697999-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-02-03 CN disclosed