SCHEMBL5950256

SCHEMBL5950256

CC(=Cc1ccc(N(C)C)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.62
MAPT P10636 8/20 0.55
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 5/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.55
MEN1 O00255 4/20 0.54
JAK2 O60674 1/20 0.54
MITF O75030 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
NTSR1 P30989 1/20 0.54
CYP2C19 P33261 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54

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
SCHEMBL5950254 1.00 AKR1C3 (0.62) AKR1C3MAPTALDH1A1KMT2ALMNA
Guanidine SCHEMBL8517216 0.90 AKR1C3 (0.51) AKR1C3MAPTALDH1A1KMT2ALMNA
Guanidine SCHEMBL8517217 0.90 AKR1C3 (0.51) AKR1C3MAPTALDH1A1KMT2ALMNA
SCHEMBL10978899 0.86 HDAC3 (0.60) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL10978901 0.86 HDAC3 (0.60) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL2462984 0.85 AKR1C3 (0.82) AKR1C3ALDH1A1L3MBTL1
SCHEMBL2462983 0.85 AKR1C3 (0.82) AKR1C3ALDH1A1L3MBTL1
SCHEMBL221874 0.83 MAPT (0.53) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL4005429 0.82 MAPT (0.61) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL11673262 0.81 AKR1C3 (0.69) AKR1C3MAPTALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
EP-0755919-B1 Substituted cinnamic acid guanidides, process for their preparation, their use as cardiovascualr medicament or diagnostic agent, as well as medicament containing them HOECHST AG (DE) 1999-11-17 EP claimed
US-5883133-A CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-16 US claimed
US-8999620-B2 Toner for electrostatic latent image development KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2015-04-07 US disclosed
US-8999619-B2 Toner for electrostatic latent image development KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2015-04-07 US disclosed
US-8980514-B2 Toner for electrostatic latent image development KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2015-03-17 US disclosed
US-20140030649-A1 TONER FOR ELECTROSTATIC LATENT IMAGE DEVELOPMENT KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2014-01-30 US disclosed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5883133-A CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
EP-0635536-B1 Multilayered composite systems ROEHM GMBH (DE) 1998-04-29 EP disclosed
US-5639584-A WET PROCESSING; AGGREGATION; PULVERIZATION IN HIGH SPEED AIR STREAM MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1997-06-17 US disclosed
EP-0477726-B1 Ternary mixtures of polymers ROEHM GMBH (DE) 1997-03-12 EP disclosed
EP-0635536-A1 Multilayered composite systems Röhm GmbH (DE) 1995-01-25 EP disclosed
US-5374487-A Compatible polymeric mixtures ROHM GMBH (DE) 1994-12-20 US disclosed
US-5250623-A Compatible polymeric mixtures ROHM GMBH (DE) 1993-10-05 US disclosed
EP-0477726-A1 Ternary mixtures of polymers RÖHM GMBH (DE) 1992-04-01 EP disclosed
WO-1991011490-A1 COMPATIBLE POLYARYLACRYLATE AND POLYESTER MIXTURES RÖHM GMBH (DE) 1991-08-08 WO disclosed
EP-0440034-A1 Compatible polymer blends RÖHM GMBH (DE) 1991-08-07 EP disclosed