SCHEMBL2831258

SCHEMBL2831258

CCCCCC(C)(C)c1cc(Cc2cc(C(C)(C)CCCCC)c(OCC3CO3)c(C(C)(C)CCCCC)c2)cc(C(C)(C)CCCCC)c1OCC1CO1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 4/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.34
GLA P06280 1/20 0.33
CNR1 P21554 1/20 0.32
VDR P11473 1/20 0.31
CNR2 P34972 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL2832899 0.92 ALDH1A1 (0.37) ALDH1A1TDP1TSHRTP53MAPT
SCHEMBL2833373 0.91 ALDH1A1 (0.40) ALDH1A1TDP1TSHRTP53MAPT
SCHEMBL2829813 0.88 ALDH1A1 (0.40) ALDH1A1TDP1TSHRTP53MEN1
SCHEMBL2833489 0.88 ALDH1A1 (0.36) ALDH1A1TDP1TSHRTP53MEN1
SCHEMBL2829924 0.87 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTP53MAPT
SCHEMBL2829265 0.86 ALDH1A1 (0.42) ALDH1A1TDP1SMN1; SMN2CNR1CNR2
SCHEMBL2833458 0.85 ALDH1A1 (0.41) ALDH1A1TDP1TSHRTP53MAPT
SCHEMBL2831255 0.84 ALDH1A1 (0.40) ALDH1A1TDP1TSHRTP53MAPT
SCHEMBL2834900 0.82 CNR1 (0.30) CNR1CNR2
SCHEMBL2829933 0.81 ALDH1A1 (0.47) ALDH1A1TDP1TSHRTP53MAPT

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