SCHEMBL17011978

SCHEMBL17011978

CCC(C)(CC(O)COc1ccc(Cc2ccc(OCC3CO3)cc2)cc1)Oc1ccc(Cc2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 2/20 0.45
PPARG P37231 1/20 0.45
TDP1 Q9NUW8 1/20 0.38
PKM P14618 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
ADRB1 P08588 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
CASR P41180 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL18844745 0.96 MEN1 (0.42) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL25835032 0.96 TP53 (0.42) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL25917990 0.94 MEN1 (0.40) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL20244247 0.93 MEN1 (0.40) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL22015742 0.92 MEN1 (0.38) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL24714976 0.85 KMT2A (0.42) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL11920239 0.85 ALDH1A1 (0.56) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL25747789 0.85 KMT2A (0.56) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL23837201 0.85 KMT2A (0.55) TP53TSHRMEN1KMT2AALDH1A1
SCHEMBL24742917 0.84 ALDH1A1 (0.54) TP53TSHRMEN1KMT2AALDH1A1

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-2907847-A1 THERMAL EXPANSION RESIN COMPOSITION Sekisui Chemical Co., Ltd. (JP) 2015-08-19 EP disclosed