SCHEMBL14680976

SCHEMBL14680976

CCC(C)(C)C(=O)Oc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
KDM4E B2RXH2 9/20 0.67
GAA P10253 7/20 0.67
KMT2A Q03164 7/20 0.67
GLA P06280 5/20 0.67
AR P10275 2/20 0.61
HPGD P15428 5/20 0.60
HSD17B10 Q99714 4/20 0.60
MAPT P10636 3/20 0.59
NPBWR1 P48145 1/20 0.59
F2 P00734 1/20 0.57
ALDH2 P05091 1/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 2/20 0.53
IGLV6-57 P01721 1/20 0.53
LMNA P02545 2/20 0.53
CA12 O43570 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
AKR1B1 P15121 1/20 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
SCHEMBL10867007 0.87 ALDH1A1 (0.72) ALDH1A1KDM4EGAAKMT2AGLA
Hydrochloric Acid SCHEMBL21724589 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EGAAKMT2AGLA
SCHEMBL3469615 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EGAAKMT2AGLA
SCHEMBL21974333 0.85 ALDH1A1 (0.69) ALDH1A1KDM4EGAAKMT2AGLA
SCHEMBL14680977 0.83 AR (0.59) ALDH1A1KDM4EGAAKMT2AGLA
SCHEMBL21974400 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EGAAKMT2AGLA
SCHEMBL2534958 0.82 ALDH1A1 (0.82) ALDH1A1KDM4EGAAKMT2AGLA
SCHEMBL145934 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EGAAKMT2AGLA
SCHEMBL74663 0.81 CA12 (0.63) ALDH1A1KDM4EGAAKMT2AGLA
SCHEMBL21724418 0.81 CA12 (0.56) ALDH1A1KDM4EGAAKMT2AGLA

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-9368145-B2 Reversible recording medium based on optical storage of information, method of reversible recording on such a medium CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-06-14 US disclosed
US-20130033975-A1 REVERSIBLE RECORDING MEDIUM BASED ON OPTICAL STORAGE OF INFORMATION, METHOD OF REVERSIBLE RECORDING ON SUCH A MEDIUM UNIVERSITE DAMGERS (FR) 2013-02-07 US disclosed