SCHEMBL9727016

SCHEMBL9727016

CC[CH]c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
NR1I2 O75469 1/20 0.54
HMGCR P04035 1/20 0.54
CA2 P00918 3/20 0.54
CA1 P00915 2/20 0.54
GABBR2 O75899 2/20 0.53
GABBR1 Q9UBS5 2/20 0.53
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
TSHR P16473 4/20 0.52
MAPT P10636 4/20 0.52
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
MEN1 O00255 3/20 0.52
BLM P54132 3/20 0.52
KMT2A Q03164 3/20 0.52

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
SCHEMBL5610217 0.86 HTT (0.52) HTTNR1I2HMGCRCA2CA1
SCHEMBL27564554 0.83 HTT (0.53) HTTNR1I2HMGCRCA2CA1
SCHEMBL2189364 0.83 HTT (0.49) HTTNR1I2HMGCRCA2CA1
SCHEMBL8072537 0.82 GABBR2 (0.58) HTTNR1I2HMGCRCA2CA1
SCHEMBL8072535 0.82 GABBR2 (0.58) HTTNR1I2HMGCRCA2CA1
SCHEMBL85764 0.80 GABBR2 (0.66) HTTHMGCRCA2CA1GABBR2
SCHEMBL6071609 0.80 HTT (0.46) HTTNR1I2HMGCRCA2CA1
SCHEMBL15299843 0.80 HTT (0.46) HTTNR1I2HMGCRCA2CA1
SCHEMBL14472045 0.79 HTT (0.63) HTTCA2CA1GABBR2GABBR1
SCHEMBL1821480 0.79 PTGS1 (0.74) HTTCA2CA1GABBR2GABBR1

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-5169925-A Light stabilizers for polymers; photooxidation resistance; nondestructive; nondiffusing; heat resistance; molding materials HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-4198334-A HEAT, LIGHT, OXIDATION RESISTANCE, PLASTICS CIBA-GEIGY CORPORATION (US) 1980-04-15 US disclosed