SCHEMBL9660665

SCHEMBL9660665

CCCCN(CCCC)C(CC(=O)O)(CC(=O)O)C(CC(=O)O)(CC(=O)O)N(CCCC)CCCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 8/20 0.41
KDM4C Q9H3R0 7/20 0.41
AKR1B1 P15121 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
PHF8 Q9UPP1 3/20 0.39
KDM4A O75164 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TLR2 O60603 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL27238394 0.74 KDM5A (0.39) KDM5AKDM4CAKR1B1PHF8KDM4A
SCHEMBL5601823 0.72 HSPD1 (0.42) GPR84PPARGPPARDPPARAALDH1A1
Malonic Acid SCHEMBL3705467 0.70 KDM5A (0.58) KDM5AKDM4CAKR1B1CA12CA1
Malonic Acid SCHEMBL5874144 0.70 KDM5A (0.58) KDM5AKDM4CAKR1B1CA12CA1
Citric Acid SCHEMBL5875268 0.69 ALDH1A1 (0.58) KDM5AKDM4CCA12CA1CA9
Citric Acid SCHEMBL5875271 0.69 ALDH1A1 (0.58) KDM5AKDM4CCA12CA1CA9
SCHEMBL9340160 0.69 AKR1B1 (0.35) KDM5AKDM4CAKR1B1CA12CA1
SCHEMBL7631657 0.68 KDM5A (0.67) KDM5AKDM4CAKR1B1PHF8GPR84
SCHEMBL9128018 0.68 KDM5A (0.67) KDM5AKDM4CAKR1B1PHF8GPR84
SCHEMBL5319841 0.68 CA12 (0.39) KDM5AKDM4CAKR1B1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479419-A1 Process for removing trace metals CHEMICAL WASTE MANAGEMENT, INC. (US) 1992-04-08 EP disclosed