SCHEMBL11711858

SCHEMBL11711858

O=C(O)C(CCCC(C(=O)O)N(Cl)Cl)N(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.33
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET3 O43151 1/20 0.33
FFAR1 O14842 1/20 0.33
BLM P54132 1/20 0.32
LMNA P02545 1/20 0.32
GSR P00390 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL15015933 0.86 NOS3 (0.31)
SCHEMBL3380824 0.86 CPB2 (0.45) BLMLMNAGSR
SCHEMBL3380820 0.86 CPB2 (0.45) BLMLMNAGSR
SCHEMBL3380827 0.86 CPB2 (0.45) BLMLMNAGSR
SCHEMBL3382202 0.84 GSR (0.52) BLMLMNAGSR
SCHEMBL3382199 0.84 GSR (0.52) BLMLMNAGSR
SCHEMBL1191350 0.81 ALDH1A1 (0.42) BLMLMNA
SCHEMBL3379044 0.80 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3379045 0.80 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3381841 0.80 CHRM1 (0.54) GPR84FFAR1CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4015008-A N,N-dichloro substituted aminocarboxylic acids as microbiocides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-03-29 US disclosed
US-3950536-A N,N-Dichloro substituted aminocarboxylic acids as bactericides and fungicides BARER SOL JOSEPH 1976-04-13 US disclosed