SCHEMBL20057511

SCHEMBL20057511

Cc1cc(C(C)(C)c2ccc(OCC3CO3)c(C)c2)ccc1OCC(C)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
PPARG P37231 1/20 0.51
HIF1A Q16665 1/20 0.51
GLA P06280 1/20 0.47
VDR P11473 14/20 0.46
AR P10275 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL1755839 0.88 ALDH1A1 (0.64) TP53MAPTHPGDTSHRMEN1
SCHEMBL10021043 0.87 ALDH1A1 (0.67) TP53MAPTHPGDTSHRMEN1
SCHEMBL13514847 0.86 TP53 (0.47) TP53MAPTHPGDTSHRMEN1
SCHEMBL19114470 0.84 MAPT (0.43) TP53MAPTHPGDTSHRMEN1
SCHEMBL13385085 0.82 ALDH1A1 (0.78) TP53MAPTHPGDTSHRMEN1
SCHEMBL815171 0.81 ALDH1A1 (0.76) TP53MAPTHPGDTSHRMEN1
SCHEMBL21469746 0.80 ESR1 (0.57) VDRARHDAC3HDAC6
SCHEMBL3139952 0.80 ALDH1A1 (0.58) TP53MAPTHPGDTSHRMEN1
SCHEMBL15835685 0.80 ALDH1A1 (0.54) TP53MAPTHPGDTSHRMEN1
SCHEMBL25246542 0.79 TSHR (0.56) TP53MAPTHPGDTSHRMEN1

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-3309615-A1 LAMINATE AND PATTERN FORMING METHOD Shin-Etsu Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed