SCHEMBL9658461

SCHEMBL9658461

CC(C)(C)Oc1cc(O)c2ccccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
EP300 Q09472 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MCL1 Q07820 2/20 0.46
MEN1 O00255 1/20 0.46
NSD2 O96028 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.43
TRPM4 Q8TD43 1/20 0.41
IDO1 P14902 2/20 0.39
MPL P40238 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KIF11 P52732 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 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
SCHEMBL29700338 1.00 HTT (0.52) HTTLMNAEP300KDM4EMAPT
SCHEMBL9629408 0.82 EP300 (0.51) HTTLMNAEP300KDM4EMAPT
SCHEMBL9629346 0.81 EP300 (0.42) LMNAEP300KDM4EMAPTMEN1
SCHEMBL9054405 0.80 EP300 (0.67) HTTLMNAEP300KDM4EMAPT
SCHEMBL29700325 0.80 EP300 (0.67) HTTLMNAEP300KDM4EMAPT
SCHEMBL9658037 0.79 LMNA (0.46) HTTLMNAEP300KDM4EMAPT
SCHEMBL9628372 0.77 MAPT (0.61) HTTLMNAEP300KDM4EMAPT
SCHEMBL9628422 0.76 HTT (0.53) HTTLMNAKDM4EMAPTMCL1
SCHEMBL29700360 0.76 LMNA (0.50) HTTLMNAEP300KDM4EMAPT
SCHEMBL28745754 0.76 EP300 (0.51) HTTLMNAEP300KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114534787-A Isopentenol gas-phase dehydrogenation catalyst and method 万华化学集团股份有限公司 2022-05-27 CN disclosed
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed