SCHEMBL7735185

SCHEMBL7735185

[CH2]/C=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HMGCR P04035 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL6571930 0.77 GABRA1 (0.39) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL2427389 0.77 GABRA1 (0.39) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL28772040 0.76 CYP1A2 (0.55) MAPTMAPK1SMN1; SMN2POLBCYP1A2
SCHEMBL1044653 0.76 AHR (0.39) CYP1A2
SCHEMBL6573320 0.76 TP53 (0.46) GABRA1GABRB2MAPTTP53CYP3A4
SCHEMBL6573201 0.76 TP53 (0.46) GABRA1GABRB2MAPTTP53CYP3A4
SCHEMBL29004362 0.76 GABRA1 (0.42) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL6573426 0.76 TP53 (0.46) GABRA1GABRB2MAPTTP53CYP3A4
SCHEMBL2789906 0.75 GABRA1 (0.46) GABRA1GABRB2HMGCRMAPTTP53
SCHEMBL7759021 0.74 ALDH1A1 (0.44) GABRA1GABRB2MAPTTP53CYP3A4

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed