SCHEMBL9340912

SCHEMBL9340912

CC(C)(C)c1cc(SSc2ccc(O)c(C(C)(C)C)c2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
ALOX15 P16050 7/20 0.59
HSD17B10 Q99714 3/20 0.59
LMNA P02545 2/20 0.59
NR1I2 O75469 1/20 0.59
CYP2C9 P11712 1/20 0.59
MIF P14174 1/20 0.59
TYR P14679 1/20 0.59
HTT P42858 1/20 0.59
NFE2L2 Q16236 1/20 0.59
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
ATP2A2 P16615 1/20 0.52
ATP2A3 Q93084 1/20 0.52
HPN P05981 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 3/20 0.46

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
SCHEMBL316680 0.87 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL20680463 0.85 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL10626842 0.85 ALOX15 (0.61) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL11553732 0.83 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL9788696 0.82 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL27878255 0.82 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL7160236 0.79 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL11560736 0.79 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL11588522 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL9810876 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10LMNANR1I2

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
EP-0323086-B1 Process for preparing detergents EXXON CHEMICAL PATENTS INC (US) 1994-06-08 EP disclosed
US-4957642-A REACTION OF MAGNESIUM COMPOUND AND A PHENOL, FREE OF INORGANIC HALIDE CATALYST EXXON CHEMICAL PATENTS INC. (US) 1990-09-18 US disclosed