SCHEMBL10607451

SCHEMBL10607451

COCc1cc(C(C)(C)C)c(-c2ccc(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
ALOX15 P16050 3/20 0.47
LMNA P02545 2/20 0.47
NR1I2 O75469 1/20 0.47
CYP2C9 P11712 1/20 0.47
MIF P14174 1/20 0.47
TYR P14679 1/20 0.47
HTT P42858 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
ATP2A2 P16615 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2564784 0.84 ALDH1A1 (0.57) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL38917 0.75 CA2 (0.55) ALDH1A1ALOX15LMNACYP2C9TYR
SCHEMBL1176397 0.74 ALDH1A1 (0.67) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL31146788 0.74 ALDH1A1 (0.67) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL9169045 0.74 ALDH1A1 (0.56) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL5692411 0.73 ALDH1A1 (0.55) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL10607444 0.72 ALDH1A1 (0.35) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL1237149 0.71 ALDH1A1 (0.69) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL2721125 0.71 ALDH1A1 (0.69) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL28145382 0.70 HSPA5 (0.51) ALDH1A1ALOX15LMNANR1I2CYP2C9

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-0233140-B1 LUBRICANT ADDITIVES CONTAINING SULPHUR AND NITROGEN CIBA-GEIGY AG (CH) 1989-11-08 EP disclosed