SCHEMBL21055174

SCHEMBL21055174

C=CC(C)=Cc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.54
ESR2 Q92731 5/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NQO2 P16083 3/20 0.48
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
ALDH5A1 P51649 2/20 0.41
ABAT P80404 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
F3 P13726 1/20 0.40
TYR P14679 1/20 0.40

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
SCHEMBL11799408 0.82 MAPT (0.44) ALDH1A1PTGS1PTGS2LMNASMN1; SMN2
SCHEMBL29281424 0.82 MAPT (0.44) ALDH1A1PTGS1PTGS2LMNASMN1; SMN2
SCHEMBL5961638 0.81 ESR1 (0.58) ESR1ESR2ALDH1A1KDM4ENQO2
SCHEMBL5961637 0.81 ESR1 (0.58) ESR1ESR2ALDH1A1KDM4ENQO2
SCHEMBL13476396 0.80 TRPA1 (0.46) PTGS2LMNAMEN1KMT2ACYP2C9
SCHEMBL18173489 0.79 ALDH1A1 (0.61) ALDH1A1LMNAKMT2ACYP2C9MAPT
SCHEMBL9142807 0.79 ALDH1A1 (0.61) ALDH1A1LMNAKMT2ACYP2C9MAPT
SCHEMBL276966 0.75 ESR1 (0.62) ESR1ESR2ALDH1A1KDM4ENQO2
SCHEMBL23728457 0.74 ESR1 (0.55) ESR1ESR2ALDH1A1KDM4ENQO2
Styrene SCHEMBL10790042 0.74 ALDH1A1 (0.58) ALDH1A1LMNAKMT2ACYP2C9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230498-A1 Alkylphenol Detergents LUBRIZOL CORP (US) 2021-07-29 US disclosed
EP-3720935-A1 ALKYLPHENOL DETERGENTS The Lubrizol Corporation (US) 2020-10-14 EP disclosed
WO-2019112720-A1 ALKYLPHENOL DETERGENTS THE LUBRIZOL CORPORATION (US) 2019-06-13 WO disclosed
CN-104507308-A Treatment of solid tumors using coenzyme Q10 BERG LLC 2015-04-08 CN disclosed
CN-1960959-A Practical, cost-effective synthesis of ubiquinones ZYMES LLC (US) 2007-05-09 CN disclosed