SCHEMBL10788264

SCHEMBL10788264

NC(=O)CCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
GSK3B P49841 1/20 0.61
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
CES1 P23141 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
HSD11B1 P28845 1/20 0.49
CES2 O00748 1/20 0.49
SRD5A2 P31213 1/20 0.49
MMP8 P22894 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL10789565 0.91 TSHR (0.59) TSHRGSK3BLMNAGAACES1
SCHEMBL240086 0.91 GSK3B (0.71) TSHRGSK3BLMNAGAACES1
SCHEMBL10789142 0.84 GSK3B (0.62) TSHRGSK3BLMNAGAACES1
SCHEMBL6650467 0.84 GSK3B (0.62) TSHRGSK3BLMNAGAACES1
SCHEMBL6756989 0.84 TSHR (0.63) TSHRGSK3BLMNAGAACES1
SCHEMBL4477185 0.84 CES1 (0.70) GSK3BCES1CA1CA2TDP1
SCHEMBL9734470 0.83 GSK3B (0.67) TSHRGSK3BLMNAGAACES1
SCHEMBL1982760 0.82 GSK3B (0.66) TSHRGSK3BCES1CA1CA2
SCHEMBL11705103 0.81 GSK3B (0.65) TSHRGSK3BGAACES1CA1
SCHEMBL10788268 0.81 GSK3B (0.59) TSHRGSK3BLMNAGAACES1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4683330-A ANTICOAGULANTS, ANTIULCER AGENTS THE UPJOHN COMPANY (US) 1987-07-28 US disclosed
US-4668814-A ANTIULCER AGENTS, ANTIASHMATICS, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1987-05-26 US disclosed
US-4628110-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-12-09 US disclosed
US-4621100-A Treatment of osteoporosis with prostaglandins THE UPJOHN COMPANY (US) 1986-11-04 US disclosed
EP-0089769-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-10-01 EP disclosed
EP-0092352-B1 9-SUBSTITUTED CARBACYCLINS THE UPJOHN COMPANY (US) 1986-07-02 EP disclosed
EP-0086611-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-21 EP disclosed
US-4590297-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
EP-0087237-B1 CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-14 EP disclosed
US-4588823-A 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-13 US disclosed
US-4160095-A PROSTAGLANDINS; ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-07-03 US disclosed
US-4157441-A PROSTAGLANDINS, ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-06-05 US disclosed
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 US disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US disclosed