SCHEMBL28042976

SCHEMBL28042976

COC(=O)OC.Cc1ccc(C)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PAX8 Q06710 1/20 0.36
MEN1 O00255 2/20 0.35
MCL1 Q07820 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL984617 0.83 NCEH1 (0.46) NCEH1ALDH1A1RECQLKMT2AHPGD
O-Xylene SCHEMBL29141440 0.79 TSHR (0.53) TDP1ALDH1A1TSHRKMT2AHPGD
SCHEMBL3494181 0.77 CA12 (0.47) TDP1ALDH1A1TSHRHPGDSMN1; SMN2
Acetic Acid SCHEMBL28703177 0.75 FFAR3 (0.44) NCEH1TDP1ALDH1A1TSHRKMT2A
SCHEMBL7810575 0.75 SMN1; SMN2 (0.52) TSHRKMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL8103972 0.73 HPGD (0.58) ALDH1A1KMT2AHPGDSMN1; SMN2HSD17B10
SCHEMBL729665 0.73 NCEH1 (0.46) NCEH1ALDH1A1KMT2AHPGDKDM4E
SCHEMBL37955 0.72 TSHR (0.45) TDP1ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL4748477 0.72 ALDH1A1 (0.54) ALDH1A1TSHRHPGDSMN1; SMN2KDM4E
SCHEMBL4971363 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143384-A Pressure-sensitive adhesive composition and pressure-sensitive adhesive sheet using same TOYO INK SC HOLDINGS CO LTD 2015-12-09 CN disclosed