SCHEMBL8779690

SCHEMBL8779690

CC(C)(C)c1cc(C=C2CCNC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
PTGS2 P35354 8/20 0.59
PTGS1 P23219 5/20 0.59
ALOX5 P09917 1/20 0.59
GAA P10253 1/20 0.55
EGFR P00533 2/20 0.53
EEF2K O00418 1/20 0.53
SRC P12931 1/20 0.53
ERBB2 P04626 1/20 0.48
IGF1R P08069 1/20 0.48

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
SCHEMBL8779686 1.00 CYP1A2 (0.68) CYP1A2CYP2C9PTGS2PTGS1ALOX5
SCHEMBL8779597 0.81 CYP1A2 (0.45) CYP1A2CYP2C9PTGS2PTGS1ALOX5
SCHEMBL8779592 0.81 CYP1A2 (0.45) CYP1A2CYP2C9PTGS2PTGS1ALOX5
SCHEMBL8822308 0.77 PTGS2 (0.61) CYP1A2CYP2C9PTGS2PTGS1ALOX5
SCHEMBL8822313 0.77 PTGS2 (0.61) CYP1A2CYP2C9PTGS2PTGS1ALOX5
SCHEMBL28125511 0.77 CYP1A2 (0.69) CYP1A2CYP2C9PTGS2PTGS1ALOX5
SCHEMBL8779637 0.77 CYP1A2 (0.60) CYP1A2CYP2C9PTGS2PTGS1ALOX5
SCHEMBL8779628 0.77 CYP1A2 (0.60) CYP1A2CYP2C9PTGS2PTGS1ALOX5
SCHEMBL9842786 0.76 CNR2 (0.46) CYP1A2CYP2C9PTGS2PTGS1ALOX5
SCHEMBL9630123 0.76 CNR2 (0.46) CYP1A2CYP2C9PTGS2PTGS1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204964-B1 2-PYRROLIDONE DERIVATIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE Eisai Co., Ltd. (JP) 1991-08-28 EP claimed
EP-0204964-A1 2-Pyrrolidone derivatives, process for preparing them, pharmaceutical composition and use Eisai Co., Ltd. (JP) 1986-12-17 EP claimed
US-5691367-A ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
EP-0532767-B1 3-Phenoxybenzyl(idene)pyrrolidine derivatives, their preparation and their use as muscarinic cholinergic agents KANEGAFUCHI CHEMICAL IND (JP) 1997-03-05 EP disclosed
EP-0391644-B1 Aryl-substituted rhodanine derivatives LILLY CO ELI (US) 1996-06-19 EP disclosed
US-5356917-A Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals ELI LILLY AND COMPANY (US) 1994-10-18 US disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
CN-1014058-B Process for preparing 2-pyrrolidone derivatives EISAI CO LTD (JP) 1991-09-25 CN disclosed
EP-0204964-B1 2-PYRROLIDONE DERIVATIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE Eisai Co., Ltd. (JP) 1991-08-28 EP disclosed
EP-0391644-A2 Aryl-substituted rhodanine derivatives ELI LILLY AND COMPANY (US) 1990-10-10 EP disclosed
US-4833160-A ANTIINFLAMMATORY AGENTS, ANALGESICS EISAI CO., LTD. (JP) 1989-05-23 US disclosed
US-4833160-A ANTIINFLAMMATORY AGENTS, ANALGESICS EISAI CO., LTD. (JP) 1989-05-23 US disclosed
US-4833160-A ANTIINFLAMMATORY AGENTS, ANALGESICS EISAI CO., LTD. (JP) 1989-05-23 US disclosed
CN-86103227-A The method for preparing the 2-Pyrrolidone derivative 1987-01-21 CN disclosed
CN-86103227-A The method for preparing the 2-Pyrrolidone derivative 1987-01-21 CN disclosed
EP-0204964-A1 2-Pyrrolidone derivatives, process for preparing them, pharmaceutical composition and use Eisai Co., Ltd. (JP) 1986-12-17 EP disclosed
EP-0204964-A1 2-Pyrrolidone derivatives, process for preparing them, pharmaceutical composition and use Eisai Co., Ltd. (JP) 1986-12-17 EP disclosed