SCHEMBL2202117

SCHEMBL2202117

CC(c1c(C(C)(C)C)ccc(O)c1C(C)(C)C)c1c(C(C)(C)C)ccc(O)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TYR P14679 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38
CA2 P00918 3/20 0.35
HPGD P15428 1/20 0.33

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
SCHEMBL15752141 0.85 ALDH1A1 (0.38) ALDH1A1ALOX15HSD17B10TYRNR1I2
SCHEMBL142313 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10TYRNR1I2
SCHEMBL30048420 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10TYRNR1I2
SCHEMBL8888131 0.75 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10TYRNR1I2
SCHEMBL30772983 0.74 CA2 (0.52) ALDH1A1ALOX15HSD17B10TYRNR1I2
Ammonia Solution, Strong SCHEMBL478297 0.74 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10TYRNR1I2
SCHEMBL65428 0.74 CA2 (0.52) ALDH1A1ALOX15HSD17B10TYRNR1I2
SCHEMBL4594554 0.73 ALDH1A1 (0.56) ALDH1A1ALOX15HSD17B10TYRNR1I2
SCHEMBL9652135 0.72 ALDH1A1 (0.45) ALDH1A1ALOX15HSD17B10TYRNR1I2
SCHEMBL31192614 0.72 ALDH1A1 (0.45) ALDH1A1ALOX15HSD17B10TYRNR1I2

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
US-7977412-B2 Epoxy resin composition and semiconductor device SUMITOMO BAKELITE COMPANY, LTD. (JP) 2011-07-12 US disclosed