SCHEMBL10697323

SCHEMBL10697323

CC(C)(C)c1cc(C(c2ccc(OCC3CO3)c(C(C)(C)C)c2)c2ccc(OCC3CO3)c(C(C)(C)C)c2)ccc1OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HIF1A Q16665 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
VDR P11473 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
RBP4 P02753 3/20 0.38
LMNA P02545 2/20 0.34
PKM P14618 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL10695804 0.84 ALDH1A1 (0.40) ALDH1A1GLATSHRTP53MAPT
SCHEMBL10695602 0.82 ALDH1A1 (0.38) ALDH1A1GLATSHRTP53MAPT
SCHEMBL1354705 0.82 ALDH1A1 (0.56) ALDH1A1GLATSHRTP53MAPT
SCHEMBL3148512 0.82 ALDH1A1 (0.53) ALDH1A1GLATSHRTP53MAPT
SCHEMBL9091679 0.82 ALDH1A1 (0.51) ALDH1A1GLATSHRTP53MAPT
SCHEMBL1356636 0.81 ALDH1A1 (0.51) ALDH1A1GLATSHRTP53MAPT
SCHEMBL12558176 0.81 TSHR (0.59) ALDH1A1GLATSHRTP53MAPT
SCHEMBL8432636 0.80 ALDH1A1 (0.50) ALDH1A1GLATSHRTP53MAPT
SCHEMBL24076478 0.79 ALDH1A1 (0.47) ALDH1A1GLATSHRTP53MAPT
SCHEMBL2719651 0.79 ALDH1A1 (0.56) ALDH1A1GLATSHRTP53MAPT

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-0251431-A2 Epoxy resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-01-07 EP disclosed