SCHEMBL6833116

SCHEMBL6833116

CC(=O)OC(C)CN(CCC#N)CCC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
CASP1 P29466 1/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
KMT2A Q03164 1/20 0.32
LCK P06239 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 3/20 0.30
HPGD P15428 1/20 0.30
FNIP1 Q8TF40 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
SCHEMBL22807644 0.79 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL29555600 0.72 KMT2A (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3500237 0.71
SCHEMBL6829951 0.71 LCK (0.39) TSHRLCKCYP1A2MAPK1ALDH1A1
SCHEMBL63359 0.69 ALDH1A1 (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL65113 0.69 ALDH1A1 (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7710942 0.69 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10726271 0.67 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11701824 0.67 LCK (0.43) TSHRLCKCYP1A2MAPK1ALDH1A1
SCHEMBL11047390 0.67 LCK (0.39) TSHRLCKCYP1A2MAPK1ALDH1A1

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-6743564-B2 A POSITIVE RESIST FORMULATION CONSISTS OF NITRILE CONTAINING TERT-AMINE COMPOUND, AN ORGANIC SOLVENT AND A BASE RESIN HAVING AN ACIDIC FUNCTIONAL GROUP WHICH IS PROTECTED WITH AN ACID LABILE GROUP, A PHOTOACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020115018-A1 Amine compounds, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-08-22 US disclosed