SCHEMBL9863804

SCHEMBL9863804

CCCCCCCCCCCCCCCCCCOCC(O)COC(=O)NCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 1/20 0.47
DNM1 Q05193 1/20 0.47
ACHE P22303 10/20 0.47
USP2 O75604 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL8016912 0.86 TLR2 (0.48) DNM1ACHE
SCHEMBL8004574 0.86 TLR2 (0.48) DNM1ACHE
SCHEMBL8015698 0.86 TLR2 (0.48) DNM1ACHE
SCHEMBL9863556 0.86 DNM1 (0.46) DNM1ACHE
SCHEMBL8018073 0.86 TLR2 (0.48) DNM1ACHE
SCHEMBL9863630 0.85 ACHE (0.50) LPAR5ACHEUSP2HTTCYP1A2
SCHEMBL9575816 0.84 LPAR5 (0.49) LPAR5ACHEUSP2HTTCYP1A2
SCHEMBL9863482 0.83 PLA2G2C (0.57) DNM1ACHE
SCHEMBL8004638 0.83 DNM1 (0.50) DNM1ACHESPHK1
SCHEMBL8017594 0.83 DNM1 (0.50) DNM1ACHESPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 EP disclosed