SCHEMBL6696590

SCHEMBL6696590

CC(=O)OCCCCCCc1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
CYP19A1 P11511 1/20 0.44
LMNA P02545 1/20 0.43
TNKS2 Q9H2K2 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
TSHR P16473 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL6689368 1.00 MAOA (0.45) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL6696643 0.98 MAOA (0.46) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL5180704 0.96 MAOA (0.41) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL5181169 0.96 MAOA (0.41) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL5182130 0.93 LMNA (0.43) MAOAMAOBCYP19A1LMNATNKS2
SCHEMBL4690527 0.88 MAOA (0.50) MAOAMAOBCYP19A1TSHR
SCHEMBL8041635 0.86 TSHR (0.48) MAOAMAOBCYP19A1LMNAPPARG
SCHEMBL28474298 0.85 LMNA (0.61) MAOAMAOBCYP19A1LMNACYP4F2
SCHEMBL15155213 0.84 CYP4F2 (0.44) LMNATNKS2PPARGPPARACYP4F2
SCHEMBL16673013 0.84 NAAA (0.47) MAOBTNKS2PPARGPPARACYP4F2

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-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
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