SCHEMBL7211399

SCHEMBL7211399

CCCCc1ccc(C(=O)OC)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 2/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.45
PRNP P04156 1/20 0.45
RECQL P46063 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PARP1 P09874 1/20 0.42
TP53 P04637 1/20 0.40

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
SCHEMBL27621806 0.95 HPGD (0.55) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL7211528 0.94 HPGD (0.57) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL5887893 0.90 HPGD (0.53) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL2162296 0.87 HPGD (0.52) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL2162352 0.85 HPGD (0.51) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL2162982 0.85 HPGD (0.55) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL7612995 0.85 HPGD (0.51) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL2160994 0.85 HPGD (0.51) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL317871 0.85 HPGD (0.55) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL19035453 0.85 HPGD (0.50) HPGDNPSR1TSHRMAPK1ATM

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-3176162-B1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2020-05-27 EP disclosed
EP-3235817-A1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS Cayman Chemical Company, Incorporated (US) 2017-10-25 EP disclosed
EP-2989098-B1 LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2017-05-10 EP disclosed
US-6616989-B1 A switching and/or display device CLARIANT INTERNATIONAL LTD. (CH) 2003-09-09 US disclosed