SCHEMBL27622698

SCHEMBL27622698

CC(C)(C)c1cc(CCCBr)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 9/20 0.48
ALDH1A1 P00352 4/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
MIF P14174 1/20 0.48
TYR P14679 1/20 0.48
HTT P42858 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HSD17B10 Q99714 1/20 0.48
IGF1R P08069 7/20 0.46
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
ATP2A2 P16615 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATP2A3 Q93084 1/20 0.42
TSHR P16473 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
SCHEMBL9246524 0.89 ALOX15 (0.55) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL7199857 0.85 ALDH1A1 (0.59) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL673963 0.84 HTT (0.52) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL2913386 0.84 ALOX15 (0.50) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL29612324 0.84 HTT (0.52) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL27685437 0.83 KAT8 (0.54) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL6416102 0.83 ALOX15 (0.50) ALOX15ALDH1A1NR1I2LMNACYP2C9
Methane SCHEMBL27924017 0.83 HTT (0.50) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL21439844 0.83 ALOX15 (0.48) ALOX15ALDH1A1NR1I2LMNACYP2C9
SCHEMBL22500081 0.83 ALOX15 (0.58) ALOX15ALDH1A1NR1I2LMNACYP2C9

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
CN-100537634-C Method of polycarbonate preparation GEN ELECTRIC (NL) 2009-09-09 CN disclosed
CN-1745121-A Method of polycarbonate preparation GEN ELECTRIC (US) 2006-03-08 CN disclosed