SCHEMBL8799205

SCHEMBL8799205

CCCCCC(CC(=O)Nc1ccccc1C(=O)NC)c1ccc(OCc2ccccc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
PPARA Q07869 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40
PTK2 Q05397 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
CTSV O60911 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
SCHEMBL8148382 0.91 PTK2 (0.45) ALDH1A1MAPK1SMN1; SMN2MAPTCYP1A2
SCHEMBL8132723 0.87 ALDH1A1 (0.39) ALDH1A1MAPTHTTTSHRKDM4E
SCHEMBL8141408 0.86 MAPT (0.39) ALDH1A1MAPK1SMN1; SMN2MAPTCYP1A2
SCHEMBL8133787 0.86 CHEK1 (0.44) ALDH1A1CYP1A2CYP2C9HTTPPARA
SCHEMBL8139983 0.86 BRD4 (0.40) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL8142644 0.84 HSD17B10 (0.37) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL8142631 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2MAPTCYP1A2
SCHEMBL8134485 0.84 KDM4E (0.41) ALDH1A1CYP2C9HTTPPARATSHR
SCHEMBL8136349 0.83 FFAR1 (0.50) SMN1; SMN2FFAR1KMT2A
SCHEMBL8428236 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1SMN1; SMN2MAPTCYP1A2

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-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 EP disclosed