SCHEMBL2830249

SCHEMBL2830249

CCCCc1cc(-c2ccc(-c3ccc(OCCOCC4CO4)cc3)cc2)ccc1OCCOCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
RARB P10826 2/20 0.40
RARA P10276 1/20 0.40
PPARG P37231 3/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
CNR2 P34972 1/20 0.35
CYP19A1 P11511 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 4/20 0.35
TSHR P16473 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL2832915 0.93 PPARG (0.43) SMN1; SMN2ALDH1A1TDP1RARBRARA
SCHEMBL2831547 0.89 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TDP1RARBRARA
SCHEMBL15835610 0.87 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TDP1PPARGPPARD
SCHEMBL2719687 0.87 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TDP1PPARGPPARD
SCHEMBL2718398 0.84 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1PPARGPPARD
SCHEMBL2827727 0.83 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TDP1RARBPPARG
SCHEMBL15835667 0.83 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TDP1PPARGPPARD
SCHEMBL2828695 0.83 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TDP1RARBPPARG
SCHEMBL2829561 0.83 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TDP1RARBPPARG
SCHEMBL2718190 0.83 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TDP1RARBPPARG

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed