SCHEMBL7708522

SCHEMBL7708522

CC(C)(C)c1cc[c]c(-c2ccc(O)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.37
LMNA P02545 2/20 0.36
TYR P14679 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
MIF P14174 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ESR1 P03372 3/20 0.33
ESR2 Q92731 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
AR P10275 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
SCHEMBL7702892 0.84 TSHR (0.34) TSHR
SCHEMBL7708203 0.83 MEN1 (0.31)
SCHEMBL5891289 0.82 ALDH1A1 (0.32) LMNAALDH1A1HTTPDE4APDE4B
SCHEMBL8204676 0.80 ALDH1A1 (0.35) HSD17B10ALDH1A1ALOX15TSHRCYP3A4
SCHEMBL7711403 0.80 PTGS2 (0.36) ALDH1A1ESR2CA2CA1
SCHEMBL7711445 0.79 RIPK1 (0.31)
SCHEMBL6399757 0.77 SENP1 (0.45) SENP1LMNAHSD17B10ALDH1A1ALOX15
SCHEMBL7708543 0.76 ALDH1A1 (0.33) ALDH1A1HPGDSLC6A4
SCHEMBL7702931 0.76 CA12 (0.45) SENP1LMNAALDH1A1ALOX15CA2
SCHEMBL7708747 0.76 CYP1A2 (0.47) LMNATYRHSD17B10ALDH1A1NR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed