SCHEMBL28085612

SCHEMBL28085612

CC(C)(C)OOC(C)(C)C.CCCCOC(=O)CCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
DNM1 Q05193 1/20 0.47
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HTR2C P28335 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ATM Q13315 1/20 0.44
PAM P19021 2/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
MGLL Q99685 1/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL28074908 0.93 DGKA (0.63) DGKADNM1NAAAALDH1A1HTR2C
Tert-Butyl Hydroperoxide SCHEMBL28325142 0.89 DGKA (0.57) DGKADNM1NAAAALDH1A1HTR2C
SCHEMBL130610 0.88 DGKA (0.71) DGKADNM1NAAAALDH1A1HTR2C
SCHEMBL11270665 0.88 DGKA (0.71) DGKADNM1NAAAALDH1A1HTR2C
SCHEMBL21956070 0.87 DGKA (0.52) DGKADNM1NAAAALDH1A1HTR2C
SCHEMBL27725448 0.87 DGKA (0.52) DGKADNM1NAAAALDH1A1HTR2C
SCHEMBL44038 0.86 DGKA (0.46) DGKADNM1NAAAALDH1A1HTR2C
SCHEMBL7177628 0.86 DGKA (0.55) DGKADNM1NAAAALDH1A1HTR2C
SCHEMBL27532125 0.86 DGKA (0.68) DGKADNM1NAAAALDH1A1HTR2C
Water SCHEMBL27325755 0.86 DGKA (0.68) DGKADNM1NAAAALDH1A1HTR2C

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
CN-106046447-A RUBBER COMPOSITION WITH EXCELLENT FILLING ABILITY HU革新株式会社 2016-10-26 CN disclosed
CN-105833483-A Multi-piece golf ball comprising low hardness gradient core 阿库施耐特公司 2016-08-10 CN disclosed