SCHEMBL3353315

SCHEMBL3353315

CCC(CC)(OP(=O)(O)O)c1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
ATP2A2 P16615 1/20 0.46
ATP2A3 Q93084 1/20 0.46
TP53 P04637 3/20 0.40
LMNA P02545 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HMGCR P04035 3/20 0.34
CYP2C9 P11712 2/20 0.34
NR1I2 O75469 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 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
SCHEMBL28342592 0.81 ALOX15 (0.52) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL465515 0.77 HMGCR (0.43) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL28425260 0.76 ALOX15 (0.50) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL7647492 0.72 ALOX15 (0.88) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL39546 0.72 ALDH1A1 (0.58) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL28031952 0.68 SMPD1 (0.40) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
Butane SCHEMBL28885880 0.68 ALDH1A1 (0.79) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL38604 0.67 ALOX15 (1.00) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL25400454 0.67 ALDH1A1 (0.56) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL2280363 0.67 ALDH1A1 (0.39) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2

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-2141196-B1 Reduction of volatiles of stabilized polypropylene/talc compositions by using specific absorbers BOREALIS AG (AT) 2010-06-23 EP disclosed