SCHEMBL78838

SCHEMBL78838

O=CCNc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CYP1A2 P05177 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
TGM2 P21980 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
SCHEMBL27470255 0.91 CA12 (0.42) CA12CA2CA9ALDH1A1MAPT
SCHEMBL11843117 0.82 MAPT (0.52) CA12CA2CA9ALDH1A1MAPT
SCHEMBL7738687 0.80 LMNA (0.39) CA12CA2CA9ALDH1A1MAPT
SCHEMBL14647878 0.79 ALDH1A1 (0.52) CA12CA2CA9ALDH1A1MAPT
SCHEMBL12710386 0.79 ALDH1A1 (0.52) CA12CA2CA9ALDH1A1MAPT
SCHEMBL29563022 0.78 CA12 (0.42) CA12CA2CA9ALDH1A1MAPT
SCHEMBL7746721 0.76 MAPT (0.56) CA12CA2CA9ALDH1A1MAPT
SCHEMBL3524179 0.76 CA12 (0.33) CA12CA2CA9
SCHEMBL7415060 0.76 CYP1A1 (0.47) CA12CA2CA9ALDH1A1MAPT
SCHEMBL946383 0.76 ALDH1A1 (0.56) CA12CA2CA9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015993-A Encapsulated benefit agent UNILEVER PLC 2011-04-13 CN claimed
US-20020061979-A1 VULCANIZABLE EPDM CONTAINING RUBBER COMPOSITION DEGUSSA AG (DE) 2002-05-23 US claimed
EP-0844992-B1 PROCESS FOR PRODUCING BETA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA (DE) 2000-05-24 EP claimed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP claimed
EP-0645435-B1 Trisazo dye, process for producing the same and aqueous ink composition containing the same ORIENT CHEMICAL IND (JP) 1999-03-24 EP claimed
EP-0844992-A1 PROCESS FOR PRODUCING $g(b)-AMINO-$g(a)-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF Degussa Aktiengesellschaft (DE) 1998-06-03 EP claimed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP claimed
WO-1997002236-A1 PROCESS FOR PRODUCING β-AMINO-α-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-01-23 WO claimed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO claimed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 US claimed
EP-0645435-A1 Trisazo dye, process for producing the same and aqueous ink composition containing the same ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-29 EP claimed
US-4036804-A POLYMERIC COMPOUND HAVING A CARBOXYL GROUP; VULCANIZING AGENT NIPPON PAINT CO., LTD. (JA) 1977-07-19 US claimed
US-12036778-B2 Laminate including layer of ethylene-α-olefin-nonconjugated polyene copolymer composition, and application thereof MITSUI CHEMICALS, INC. (JP) 2024-07-16 US disclosed
CN-118286431-A Application of HIF-1 inhibitor britannin in tumor stem cell elimination and tumor treatment 山东大学 2024-07-05 CN disclosed
US-12024657-B2 Adhesive tape DENKA COMPANY LIMITED (JP) 2024-07-02 US disclosed
CN-118271387-A Compositions and methods for treating CNS disorders 萨奇治疗股份有限公司 2024-07-02 CN disclosed
US-4036804-A POLYMERIC COMPOUND HAVING A CARBOXYL GROUP; VULCANIZING AGENT NIPPON PAINT CO., LTD. (JA) 1977-07-19 US disclosed
US-4002594-A THIOMORPHOLINE PPG INDUSTRIES, INC. (US) 1977-01-11 US disclosed
US-3981884-A POLYMERS EASTMAN KODAK COMPANY (US) 1976-09-21 US disclosed
US-3966811-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-06-29 US disclosed