SCHEMBL6888720

SCHEMBL6888720

CC(C)(C)c1cc(C(Cc2ccccc2)c2ccc(O)c(C(C)(C)C)c2)ccc1O.Cc1cc(O)c(C)c(C)c1C(Cc1ccccc1)c1c(C)cc(O)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.36
CYP2C9 P11712 3/20 0.36
TP53 P04637 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL6030787 0.92 CYP2C9 (0.34) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL836618 0.86 ALDH1A1 (0.46) ALOX15CYP2C9CYP2C19ALDH1A1NR1I2
SCHEMBL15968048 0.77 CYP2C9 (0.43) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL17060492 0.73 ALOX15 (0.38) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL29908399 0.73 ESR1 (0.46) CYP2C9TP53CYP2C19HSD17B10TDP1
SCHEMBL2030097 0.73 ESR1 (0.46) CYP2C9TP53CYP2C19HSD17B10TDP1
SCHEMBL6888713 0.71 ADRB2 (0.35) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL6030783 0.71 ESR1 (0.51) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL29204648 0.70 SLC6A4 (0.47) CYP2C9TP53CYP2C19LMNAHSD17B10
SCHEMBL1597262 0.70 ALDH1A1 (0.53) ALOX15CYP2C9TP53CYP2C19CYP2D6

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
US-6777464-B1 ELECTRONIC CIRCUIT-CONNECTING MATERIAL HAVING A SUPERIOR LOW-TEMPERATURE RAPID CURABILITY AND ALSO HAVING A LONG POT LIFE HITACHI CHEMICAL COMPANY, LTD. (JP) 2004-08-17 US disclosed