SCHEMBL9744663

SCHEMBL9744663

CC(C)c1c(O)cc(C(C)(C)C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
AHR P35869 1/20 0.42
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 1/20 0.39
LMNA P02545 1/20 0.37

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
SCHEMBL27728974 0.76 GABRA1 (0.55) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL3614754 0.76 ALDH1A1 (0.40) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL3872595 0.74 GABRA1 (0.57) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL9744348 0.74 AHR (0.48) ALDH1A1HPGDTDP1GABRA1GABRB2
SCHEMBL14007404 0.74 GABRA1 (0.57) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL28180994 0.73 CYP2C19 (0.44) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL9744092 0.72 GABRA1 (0.55) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL7930872 0.72 GABRA1 (0.55) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL7528889 0.72 GABRA1 (0.56) ALDH1A1ALOX15HPGDHSD17B10TDP1
Methane SCHEMBL27627234 0.72 GABRA1 (0.55) ALDH1A1ALOX15HPGDHSD17B10TDP1

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
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP disclosed