SCHEMBL10697310

SCHEMBL10697310

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
GLA P06280 1/20 0.39
VDR P11473 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RBP4 P02753 2/20 0.33
GPR84 Q9NQS5 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD4 P21917 1/20 0.32
S1PR1 P21453 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
SCHEMBL3148512 0.83 ALDH1A1 (0.53) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL12558176 0.82 TSHR (0.59) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL10695602 0.78 ALDH1A1 (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL10697950 0.77 ALDH1A1 (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL10460513 0.77 ALDH1A1 (0.56) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL9410191 0.77 ALDH1A1 (0.42) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL10697025 0.76 ALDH1A1 (0.66) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL1354705 0.75 ALDH1A1 (0.56) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL9091679 0.75 ALDH1A1 (0.51) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL1356636 0.74 ALDH1A1 (0.51) TSHRALDH1A1TP53MAPTHPGD

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