SCHEMBL2244012

SCHEMBL2244012

Cc1c(C(C)(C)C)cc(O)c(C(C)(C)C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.54
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
CYP1A2 P05177 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ATP2A2 P16615 1/20 0.54
ATP2A3 Q93084 1/20 0.54
CA2 P00918 4/20 0.43
TYR P14679 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 4/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 5/20 0.40
HSD17B10 Q99714 2/20 0.40
NR1I2 O75469 1/20 0.40
MIF P14174 1/20 0.40
HTT P42858 1/20 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
SCHEMBL28404267 0.86 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL28613619 0.86 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL11443426 0.84 SMN1; SMN2 (0.52) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL30449795 0.84 SMN1; SMN2 (0.52) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL23409677 0.82 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL28751257 0.82 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL20132920 0.81 ALOX15 (0.59) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL12149768 0.81 ACHE (0.42) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL10707367 0.80 SMN1; SMN2 (0.52) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL395986 0.79 ALDH1A1 (0.41) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT

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-20110190464-A1 METHOD FOR THE SYNTHESIS OF BIORESOURCED ACRYLIC ACID ESTERS ARKEMA FRANCE (FR) 2011-08-04 US disclosed