SCHEMBL2969422

SCHEMBL2969422

CC(OC(N)=O)C(C)(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 2/20 0.44
KCNN4 O15554 3/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
KIF11 P52732 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL1507630 0.79 CYP2D6 (0.42) MAPTKMT2ACYP2D6CYP1A2KCNN4
SCHEMBL29021068 0.79 GABRA1 (0.38) LMNACHRM2CHRM1CHRM3HDAC3
SCHEMBL9049034 0.78 MAPT (0.44) MAPTKMT2ACYP2D6CYP1A2KCNN4
SCHEMBL4587493 0.78 L3MBTL1 (0.43) MAPTLMNAALDH1A1KDM4ETSHR
SCHEMBL16314168 0.76 MAPT (0.53) MAPTKMT2ACYP2D6CYP1A2KCNN4
SCHEMBL9049025 0.75 TRPA1 (0.51) KMT2ACYP1A2CYP2C19HIF1ALMNA
SCHEMBL11480693 0.74 MAPK1 (0.46) MAPTKMT2ACYP2D6CYP1A2KCNN4
SCHEMBL4589967 0.73 HTT (0.44) MAPTKMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL9333684 0.73 IRAK4 (0.36) MAPTKMT2AALDH1A1KDM4ETSHR
SCHEMBL109172 0.71 MAPK1 (0.43) MAPTKMT2ACYP2D6CYP1A2KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439616-A THERMAL CRACKING, ACID CATALYST AMERICAN CYANAMID COMPANY (US) 1984-03-27 US claimed
US-7772351-B2 grafted onto an ethylenically unsaturated monomer; paper, textile, detergents, paints; COATEX S.A.S. (FR) 2010-08-10 US disclosed
US-20060106186-A1 grafted onto an ethylenically unsaturated monomer; paper, textile, detergents, paints; COATEX S.A.S. (FR) 2006-05-18 US disclosed
EP-0234353-B1 PROCESS FOR THE PRODUCTION OF TETRAMETHYL XYLYLENE DIISOCYANATES AMERICAN CYANAMID COMPANY (US) 1992-04-22 EP disclosed
EP-0164491-B1 PROCESS FOR THE PREPARATION OF TERTIARY ARALKYL URETHANES AND PROCESS FOR THE PREPARATION OF ISOCYANATES DERIVED THEREFROM AMERICAN CYANAMID COMPANY (US) 1990-05-09 EP disclosed
EP-0234353-A1 Process for the production of tetramethyl xylylene diisocyanates AMERICAN CYANAMID COMPANY (US) 1987-09-02 EP disclosed
EP-0164494-B1 SYSTEM FOR CONVEYING CONICAL ARTICLES YAMAKYU AUTOMATICS CO., LTD. (JP) 1987-08-26 EP disclosed
EP-0164491-A1 Process for the preparation of tertiary aralkyl urethanes and process for the preparation of isocyanates derived therefrom AMERICAN CYANAMID COMPANY (US) 1985-12-18 EP disclosed
EP-0101832-A1 Tertiary aralkyl urethanes and isocyanates derived therefrom AMERICAN CYANAMID COMPANY (US) 1984-03-07 EP disclosed