SCHEMBL86232

SCHEMBL86232

CC1(C)CC(NC(=O)O)CC(C)(CN)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
PBK Q96KB5 1/20 0.40
HTT P42858 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
APLNR P35414 1/20 0.31
CYP3A4 P08684 1/20 0.30
EZH2 Q15910 1/20 0.30

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
SCHEMBL25196083 0.88 TSHR (0.38) TSHRPBKHTTPOLBKDM4E
SCHEMBL1953284 0.87 TSHR (0.50) TSHRPBKALDH1A1GAACYP3A4
SCHEMBL21635830 0.87 TSHR (0.50) TSHRPBKALDH1A1KDM4EGAA
SCHEMBL15242160 0.85 TSHR (0.51) TSHRPBKHTTPOLBALDH1A1
SCHEMBL15728139 0.84 TSHR (0.48) TSHRPBKALDH1A1KDM4EKMT2A
SCHEMBL19444538 0.83 TSHR (0.58) TSHRPBKALDH1A1KMT2ALMNA
SCHEMBL86250 0.82 TSHR (0.56) TSHRHTTPOLBALDH1A1KDM4E
SCHEMBL13199418 0.82 TSHR (0.64) TSHRHTTPOLBALDH1A1KDM4E
SCHEMBL14679460 0.82 TSHR (0.45) TSHRHTTPOLBALDH1A1KDM4E
SCHEMBL12230721 0.81 TSHR (0.59) TSHRPBKALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022085789-A1 METHOD FOR RECOVERING CARBON DIOXIDE, METHOD FOR ABSORBING CARBON DIOXIDE, AND METHOD FOR DESORBING CARBON DIOXIDE 東京都公立大学法人 2022-04-28 WO disclosed
US-20220127421-A1 POLYURETHANE COPOLYMERS AND BLENDS, METHODS OF MANUFACTURE THEREOF AND ARTICLES CONTAINING THE SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2022-04-28 US disclosed
WO-2015200591-A1 POLYURETHANES, ARTICLES COMPRISING THE SAME AND METHODS OF MANUFACTURE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-12-30 WO disclosed
WO-2014093751-A2 AMPHIPHILIC SILOXANE-CONTAINING VINYLIC MONOMERS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 WO disclosed
WO-2013075697-A1 USE OF CYCLIC AMINES FOR REVERSIBLE ABSORPTION OF CO2 BUETTNER HERMANN (DE) 2013-05-30 WO disclosed
US-8128393-B2 Methods and materials for fabricating laminate nanomolds and nanoparticles therefrom LIQUIDIA TECHNOLOGIES, INC. (US) 2012-03-06 US disclosed