SCHEMBL6696643

SCHEMBL6696643

CC(=O)OCCCCc1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
CYP19A1 P11511 1/20 0.45
LMNA P02545 1/20 0.44
TNKS2 Q9H2K2 1/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
GLS O94925 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL6696590 0.98 MAOA (0.45) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL6689368 0.98 MAOA (0.45) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL5180704 0.94 MAOA (0.41) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL5181169 0.94 MAOA (0.41) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL5182130 0.92 LMNA (0.43) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL4690527 0.89 MAOA (0.50) MAOAMAOBCYP19A1ALDH1A1GLS
SCHEMBL28474298 0.86 LMNA (0.61) MAOAMAOBCYP19A1LMNACYP4F2
SCHEMBL8041635 0.85 TSHR (0.48) MAOAMAOBCYP19A1LMNA
SCHEMBL15155213 0.82 CYP4F2 (0.44) LMNATNKS2CYP4F2CYP4A11ALDH1A1
SCHEMBL16673013 0.82 NAAA (0.47) MAOBTNKS2CYP4F2CYP4A11

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
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed