SCHEMBL8437334

SCHEMBL8437334

C=C(CCCN(C)C)C(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
KDM4A O75164 12/20 0.35
KDM4C Q9H3R0 12/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
DNM1 Q05193 2/20 0.34

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
SCHEMBL696791 0.80 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL7502000 0.80 KDM4A (0.40) PAOXALDH1A1TSHRKDM4AKDM4C
SCHEMBL22599 0.80 KDM4A (0.40) PAOXALDH1A1TSHRKDM4AKDM4C
Ammonia Solution, Strong SCHEMBL9070327 0.78 KDM4A (0.39) PAOXALDH1A1TSHRKDM4AKDM4C
Bromide SCHEMBL1061717 0.78 KDM4A (0.39) PAOXALDH1A1TSHRKDM4AKDM4C
Hydrochloric Acid SCHEMBL966902 0.78 KDM4A (0.43) PAOXALDH1A1TSHRKDM4AKDM4C
SCHEMBL37111 0.78 ALDH1A1 (0.36) PAOXALDH1A1TSHRKDM4AKDM4C
SCHEMBL2232037 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9013177 0.78 PAOX (0.36) PAOXALDH1A1TSHRKDM4AKDM4C
SCHEMBL93437 0.78 CYP1A2 (0.41) PAOXALDH1A1TSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602235-B1 AQUEOUS LIQUID FOR PRIMERS NAT STARCH CHEM INVEST (US) 1999-12-15 EP disclosed
US-5455299-A Cationic monomer, alkoxysilane containing monomer, ethylenic unsaturated monomer; storage stability NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1995-10-03 US disclosed
EP-0602235-A1 AQUEOUS LIQUID FOR PRIMERS National Starch and Chemical Investment Holding Corporation (US) 1994-06-22 EP disclosed
WO-1994000520-A1 AQUEOUS LIQUID FOR PRIMERS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1994-01-06 WO disclosed