SCHEMBL13181791

SCHEMBL13181791

CCC1OC1COc1c(C)cc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1Cc1cc(C(C)(C)c2ccc(OCC3CO3)cc2)cc(Cc2cc(C(C)(C)c3ccc(OCC4CO4)cc3)cc(Cc3cc(C(C)(C)c4ccc(OCC5CO5)cc4)cc(C)c3OCC3OC3CC)c2OCC2OC2CC)c1OCC1OC1CC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TP53 P04637 3/20 0.56
TSHR P16473 3/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HIF1A Q16665 2/20 0.56
CYP1A2 P05177 1/20 0.56
PPARG P37231 1/20 0.56
TDP1 Q9NUW8 1/20 0.35
PKM P14618 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
GLA P06280 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
SCHEMBL14225533 0.85 ALDH1A1 (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL1753658 0.84 ALDH1A1 (0.68) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL21297190 0.81 ALDH1A1 (0.64) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL2602826 0.81 ALDH1A1 (0.64) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL14822777 0.81 ALDH1A1 (0.64) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL18924582 0.81 ALDH1A1 (0.64) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL12726736 0.81 ALDH1A1 (0.64) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL16521907 0.80 ALDH1A1 (0.58) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL19651993 0.80 ALDH1A1 (0.58) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL15237117 0.79 ALDH1A1 (0.61) ALDH1A1TP53TSHRMAPTHPGD

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-20100233429-A1 Substrate for Biochip, Biochip, Method for Manufacturing Substrate for Biochip and Method for Manufacturing Biochip YAMATAKE CORPORATION (JP) 2010-09-16 US disclosed