SCHEMBL8604652

SCHEMBL8604652

CCN(C(=O)NO)C(CCC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.43
CYP1A2 P05177 2/20 0.38
KDM2A Q9Y2K7 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
TET2 Q6N021 3/20 0.35
KDM4A O75164 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
TET3 O43151 1/20 0.35
RIMKLA Q8IXN7 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 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
SCHEMBL8604654 1.00 FOLH1 (0.43) FOLH1CYP1A2KDM2AKDM4EKDM6B
SCHEMBL8604542 0.82 TDP1 (0.32) FOLH1
SCHEMBL8604541 0.82 TDP1 (0.32) FOLH1
SCHEMBL6311082 0.74 CYP1A2 (0.46) FOLH1CYP1A2KDM2ATET2KDM4A
SCHEMBL6992803 0.74 CYP1A2 (0.46) FOLH1CYP1A2KDM2ATET2KDM4A
SCHEMBL619961 0.73 FFAR4 (0.49) KDM5CKDM4C
Hydrochloric Acid SCHEMBL573426 0.72 CYP1A2 (0.45) FOLH1CYP1A2KDM2ATET2KDM4A
SCHEMBL4655463 0.72 CYP1A2 (0.45) FOLH1CYP1A2KDM2ATET2KDM4A
SCHEMBL7701636 0.72 CYP1A2 (0.45) FOLH1CYP1A2KDM2ATET2KDM4A
Hydrochloric Acid SCHEMBL9432688 0.72 CYP1A2 (0.45) FOLH1CYP1A2KDM2ATET2KDM4A

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
US-5733342-A BUILDERS AND BLEACH STABILIZERS IN DETERGENTS AND CLEANING COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-03-31 US disclosed