SCHEMBL3408192

SCHEMBL3408192

CCCCc1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP1A2 P05177 1/20 0.56
ATP2A2 P16615 1/20 0.56
ATP2A3 Q93084 1/20 0.56
GAA P10253 3/20 0.47
TYR P14679 4/20 0.46
TP53 P04637 4/20 0.43
CYP3A4 P08684 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 4/20 0.40
MAPK1 P28482 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL30604741 1.00 ALOX15 (0.56) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL7198533 0.93 ALOX15 (0.52) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL30320332 0.89 ALOX15 (0.56) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL28365844 0.87 ALOX15 (0.48) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10067473 0.86 ALOX5 (0.49) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL27365451 0.86 ALOX15 (0.47) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL5181980 0.86 TYR (0.43) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL30800911 0.86 ALOX5 (0.49) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL29180392 0.86 ALOX5 (0.49) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL529614 0.86 ALOX15 (0.51) ALOX15ALDH1A1MAPTSMN1; SMN2KDM4E

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
EP-2258758-A1 Thermoplastic polymer composition and production method thereof Sumitomo Chemical Company, Limited (JP) 2010-12-08 EP disclosed