SCHEMBL6380217

SCHEMBL6380217

C#C[C@H](Cc1cccc(COC)c1)OC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.35
PTGER2 P43116 1/20 0.33
DHFR P00374 1/20 0.33
F2RL3 Q96RI0 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TACR1 P25103 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL6375961 0.81 PTGER4 (0.35) PTGER4PTGER2DHFRF2RL3
SCHEMBL6374424 0.80 PTGER4 (0.37) PTGER4PTGER2DHFR
SCHEMBL27491065 0.80 PTGER4 (0.37) PTGER4PTGER2DHFR
SCHEMBL6381398 0.78 PTGER4 (0.36) PTGER4PTGER2DHFR
SCHEMBL6377342 0.76 PTGER4 (0.36) PTGER4PTGER2
SCHEMBL6624255 0.73 DHFR (0.55) DHFRF2RL3KDM4CNPC1RAB9A
SCHEMBL21236930 0.72 KDM4C (0.45) KDM4CNPC1RAB9A
SCHEMBL7655260 0.72 SLC16A3 (0.33) PTGER4PTGER2
SCHEMBL6377017 0.72 SLC16A3 (0.33) PTGER4PTGER2
SCHEMBL9123646 0.71 DHFR (0.35) PTGER4DHFRKDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097922-B1 5-THIA-OMEGA-SUBSTITUTED PHENYL-PROSTAGLANDIN E DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-03-16 EP disclosed
US-6586468-B1 Prostaglandin derivatives having preferential binding to prostaglandin E2 receptors used for prophylaxis of autoimmune and graft versus host diseases, respiratory system, liver and sleep disorders; side effect reduction ONO PHARMACEUTICAL CO., LTD. (JP) 2003-07-01 US disclosed
US-6462081-B1 SUCH AS A 9-OXO-11,15-DIHYDROXY-16-(3-METHOXYMETHYLPHENYL)-17,18,19,20-TETRANOR-5 -THIAPROST-13-ENOIC ACID; PROSTAGLANDIN E2 RECEPTOR BINDERS; AMYOTROPHIC LATERAL SCLEROSIS, LUPUS, MULTIPLE SCLEROSIS, SJOEGREN'S SYNDROME, RHEUMARTHROSIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-10-08 US disclosed
EP-1114816-A1 $g(v)-SUBSTITUTED PHENYL-PROSTAGLANDIN E DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-07-11 EP disclosed
EP-1097922-A1 5-THIA-OMEGA-SUBSTITUTED PHENYL-PROSTAGLANDIN E DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP disclosed
US-6043275-A BIND PROSTAGLANDIN E2 RECEPTOR; PREVENTION AND/OR TREATMENT OF IMMUNOLOGICAL DISEASES, ASTHMA, ABNORMAL BONE FORMATION, NEURONAL CELL DEATH, LIVER DAMAGE, NEPHRITIS, HYPERTENSION, MYOCARDIAC ISCHEMIA, SLEEPING DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US disclosed
EP-0985663-A1 A 3.7-dithiaprostanoic acid derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed