SCHEMBL8423216

SCHEMBL8423216

Nc1cccc(CN(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
HSD11B1 P28845 1/20 0.46
MEP1B Q16820 5/20 0.45
MEP1A Q16819 2/20 0.45
CYP19A1 P11511 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PBRM1 Q86U86 1/20 0.42
PTPN1 P18031 1/20 0.41
FFAR1 O14842 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40

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
SCHEMBL7759713 0.87 MEP1B (0.51) MEP1BMEP1APTPN1
SCHEMBL13742232 0.85 HSD11B1 (0.49) MAOAMAOBHSD11B1THRATHRB
SCHEMBL20633454 0.82 MAOA (0.42) MAOAMAOBHSD11B1CYP19A1THRA
SCHEMBL10534847 0.80 HSD11B1 (0.45) MAOAMAOBHSD11B1MEP1BMEP1A
SCHEMBL8421332 0.80 OPRK1 (0.56) MEP1BMEP1A
SCHEMBL16366240 0.79 GYS1 (0.39) MAOAMAOBHSD11B1CYP19A1THRA
SCHEMBL14325933 0.79 TAS2R14 (0.49) MEP1BMEP1A
SCHEMBL19407153 0.79 CYP2C19 (0.47) MEP1BMEP1APTPN1
SCHEMBL17494838 0.79 MAOA (0.48) MAOAMAOBHSD11B1CYP19A1THRA
SCHEMBL212272 0.78 AKR1B1 (0.52) MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668854-B1 USE OF N-ARYLMETHYLENE, ETHYLENEDIAMINETRIACETATES N-ARYLMETHYLENE IMINODIACETATES OR N,N'-DIARYLMETHYLENE ETHYLENEDIAMINACETATES FOR USE IN COMBATTING OXIDATIVE STRESS OREAL (FR) 1999-10-13 EP claimed
US-5703095-A PREVENTION FERRITIN FROM RELEASING OXYGEN L'OREAL (FR) 1997-12-30 US claimed
WO-1989006980-A1 RADIOPHARMACEUTICALS UNIVERSITY OF QUEENSLAND (AU) 1989-08-10 WO disclosed