SCHEMBL15934285

SCHEMBL15934285

CC(C)c1c(N)cccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALOX15 P16050 4/20 0.48
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
ALDH1A1 P00352 4/20 0.42
ALOX12 P18054 2/20 0.42
HTT P42858 2/20 0.42
HIF1A Q16665 2/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 5/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
CA9 Q16790 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL841515 0.83 CYP3A4 (0.48) TSHRALOX15GABRA1GABRB2ALDH1A1
SCHEMBL725385 0.83 GABRA1 (0.52) TSHRALOX15GABRA1GABRB2ALDH1A1
SCHEMBL3685530 0.83 TSHR (0.44) TSHRALOX15GABRA1GABRB2ALDH1A1
SCHEMBL5317046 0.81 ALOX15 (0.43) TSHRALOX15GABRA1GABRB2ALDH1A1
SCHEMBL6663974 0.79 ALDH1A1 (0.48) TSHRALOX15GABRA1GABRB2ALDH1A1
Formaldehyde SCHEMBL27978532 0.76 CA2 (0.47) TSHRALOX15GABRA1GABRB2ALDH1A1
SCHEMBL16527993 0.76 GABRA1 (0.46) TSHRALOX15GABRA1GABRB2ALDH1A1
SCHEMBL10073173 0.74 CD44 (0.52) TSHRALOX15ALDH1A1CYP3A4CA1
SCHEMBL141144 0.74 CYP3A4 (0.46) TSHRALOX15GABRA1GABRB2ALDH1A1
SCHEMBL184407 0.74 TRPA1 (0.52) TSHRALOX15GABRA1GABRB2ALDH1A1

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
EP-3283555-A1 METHOD FOR THE RUBBER MODIFICATION OF THERMOSETTING RESINS BASF SE (DE) 2018-02-21 EP disclosed
WO-2016166166-A1 METHOD FOR THE RUBBER MODIFICATION OF THERMOSETTING RESINS BASF SE (DE) 2016-10-20 WO disclosed
WO-2015104278-A1 EPOXY RESIN SYSTEMS WITH PIPERIDINE DERIVATIVES AS CURING AGENTS BASF SE (DE) 2015-07-16 WO disclosed
WO-2014118093-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-AMINOPHENOL COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed