SCHEMBL6978990

SCHEMBL6978990

Nc1ccc(OC[C]=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.52
▸ TSHR P16473 2/20 0.52
▸ MAOB P27338 4/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ APP P05067 5/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL2170360 0.88 CA12 (0.42) TDP1TSHRMAOBRAB9AMAPT
SCHEMBL11012248 0.78 MAOB (0.48) MAOBNFE2L2
SCHEMBL7345979 0.78 TDP1 (0.50) TDP1TSHRMAOBRAB9AGAA
SCHEMBL2061077 0.77 TDP1 (0.52) TDP1TSHRMAOBRAB9AGAA
SCHEMBL126400 0.77 CA12 (0.58) TDP1TSHRMAOBRAB9AGAA
SCHEMBL2641227 0.77 LTA4H (0.47) APP
SCHEMBL99544 0.77 DAO (0.43) TDP1MAOBRAB9AL3MBTL1APP
SCHEMBL514661 0.77 APP (0.42) MAOBRAB9AMAPTALDH1A1APP
SCHEMBL514644 0.77 L3MBTL1 (0.47) TSHRMAOBGAAMAPTL3MBTL1
SCHEMBL10947087 0.77 NQO1 (0.64) TDP1TSHRMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 — — EP claimed
US-3972774-A BY AN ESTERASE ENZYME FROM BACILLUS ELI LILLY AND COMPANY (US) 1976-08-03 — — US claimed
CN-112759564-B Diaryl urea compound and its prepn and medicinal use 中国医学科学院药物研究所 2023-09-26 — — CN disclosed
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 — — EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 — — US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 — — EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 — — WO disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 — — EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 — — WO disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 — — EP disclosed
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 — — US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 — — US disclosed
US-4045435-A Preparation of cephalosporin ethers ELI LILLY AND COMPANY (US) 1977-08-30 — — US disclosed
US-4042472-A Electrolytic process for 7-methoxy-3-exomethylenecepham compounds ELI LILLY AND COMPANY (US) 1977-08-16 — — US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 — — US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 — — US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 — — US disclosed
US-3972774-A BY AN ESTERASE ENZYME FROM BACILLUS ELI LILLY AND COMPANY (US) 1976-08-03 — — US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 — — US disclosed
US-3953438-A Preparation of cephalosporin ethers ELI LILLY AND COMPANY (US) 1976-04-27 — — US disclosed
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