SCHEMBL8142192

SCHEMBL8142192

COC(=O)CCc1ccc(N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CALM1 P0DP23 2/20 0.49
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MCL1 Q07820 1/20 0.47
HDAC1 Q13547 3/20 0.46

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
SCHEMBL22922181 0.87 CYP4F2 (0.59) ALDH1A1TSHRHSD17B10CYP4F2CYP4A11
SCHEMBL14733281 0.86 CYP4F2 (0.49) ALDH1A1TSHRHSD17B10CYP4F2CYP4A11
SCHEMBL12339923 0.85 SMN1; SMN2 (0.45) ALDH1A1MAPK1NPC1SMN1; SMN2HSD17B10
SCHEMBL5593638 0.84 KDM4E (0.49) ALDH1A1MAPK1NPC1SMN1; SMN2HPGD
SCHEMBL10729278 0.83 CYP4F2 (0.68) ALDH1A1MAPK1NPC1SMN1; SMN2HPGD
SCHEMBL10869549 0.83 MMP8 (0.41) ALDH1A1MAPK1NPC1SMN1; SMN2HPGD
SCHEMBL10869547 0.83 MMP8 (0.41) ALDH1A1MAPK1NPC1SMN1; SMN2HPGD
SCHEMBL7360766 0.81 CYP4F2 (0.59) ALDH1A1MAPK1NPC1SMN1; SMN2HPGD
SCHEMBL9718461 0.81 TDP1 (0.50) ALDH1A1SMN1; SMN2HPGDKDM4ECYP4F2
SCHEMBL15080669 0.81 CYP4F2 (0.49) ALDH1A1KDM4ECYP4F2CYP4A11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069149-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TERUMO KABUSHIKI KAISHA (JP) 2000-05-30 US disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 EP disclosed
CN-1079648-A Preparation contains the method for the pharmaceutical composition of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1993-12-22 CN disclosed
CN-1048039-A Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1990-12-26 CN disclosed