SCHEMBL9862398

SCHEMBL9862398

CC(C)c1ccc(OP(Oc2ccc(C(C)C)cc2C(C)(C)C)Oc2ccc(C(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 7/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HIF1A Q16665 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL7635497 0.83 CYP2D6 (0.37) CYP2D6CYP1A2LMNAALDH1A1TRPA1
SCHEMBL9885327 0.81 HDAC4 (0.44) LMNAALDH1A1SMN1; SMN2POLBHDAC4
SCHEMBL11983480 0.80 KDM4E (0.34) ALDH1A1SMN1; SMN2
SCHEMBL13395423 0.79 PDE2A (0.45) CYP2D6CYP1A2LMNAALDH1A1TRPA1
SCHEMBL19651157 0.77 L3MBTL1 (0.35) CYP2D6CYP1A2LMNAALDH1A1HIF1A
SCHEMBL17424128 0.76 CA1 (0.33) CYP1A2CYP3A4CYP2C9
SCHEMBL29349873 0.76 CA1 (0.41) LMNAALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL29367415 0.76 ALDH1A1 (0.39) LMNAALDH1A1PTGS1SMN1; SMN2POLB
SCHEMBL26607 0.76 CA1 (0.41) LMNAALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL1239795 0.76 LMNA (0.36) LMNAALDH1A1TRPA1PTGS1CACNA1C

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-5021169-A Heating and reacting maleic anhydride and an aliphatic olefin in the presence of a triarylphosphite; reduced levels of tar and color bodies ETHYL CORPORATION (US) 1991-06-04 US disclosed