SCHEMBL6030787

SCHEMBL6030787

CC(C)(C)c1cc(C(Cc2ccccc2)c2ccc(O)c(C(C)(C)C)c2)ccc1O.Cc1cc(O)c(C)c(C)c1C(c1ccccc1)c1c(C)cc(O)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.34
ALOX15 P16050 3/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
MIF P14174 1/20 0.33
TYR P14679 1/20 0.33
HTT P42858 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
IDH1 O75874 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
ESRRA P11474 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
SCHEMBL6888720 0.92 ALOX15 (0.36) CYP2C9ALOX15CYP2C19TP53CYP2D6
SCHEMBL836618 0.83 ALDH1A1 (0.46) CYP2C9ALOX15CYP2C19ALDH1A1NR1I2
SCHEMBL6030783 0.80 ESR1 (0.51) CYP2C9ALOX15CYP2C19TP53CYP2D6
SCHEMBL835192 0.78 SLC6A2 (0.37) CYP2C9ALOX15CYP2C19CYP2D6ALDH1A1
SCHEMBL15968048 0.77 CYP2C9 (0.43) CYP2C9ALOX15CYP2C19TP53CYP2D6
SCHEMBL7922321 0.73 ALDH1A1 (0.50) CYP2C9ALOX15CYP2C19ALDH1A1NR1I2
SCHEMBL6888713 0.71 ADRB2 (0.35) CYP2C9ALOX15CYP2C19TP53CYP2D6
SCHEMBL29204648 0.71 SLC6A4 (0.47) CYP2C9CYP2C19TP53LMNAHSD17B10
SCHEMBL29908399 0.70 ESR1 (0.46) CYP2C9CYP2C19TP53HSD17B10IDH1
SCHEMBL2030097 0.70 ESR1 (0.46) CYP2C9CYP2C19TP53HSD17B10IDH1

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-1717851-A1 Circuit-connecting material and circuit terminal connected structure and connecting method Hitachi Chemical Co., Ltd. (JP) 2006-11-02 EP disclosed