SCHEMBL6510485

SCHEMBL6510485

C=CC(=O)NC(CCC)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.50
TAS1R1 Q7RTX1 5/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
TSHR P16473 1/20 0.44
PLA2G2C Q5R387 3/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TGM2 P21980 1/20 0.37
PLA2G2A P14555 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL1412204 0.95 ZDHHC20 (0.55) TAS1R3TAS1R1ZDHHC20ZDHHC2TSHR
SCHEMBL18557469 0.95 ZDHHC20 (0.55) TAS1R3TAS1R1ZDHHC20ZDHHC2TSHR
SCHEMBL1079331 0.95 ZDHHC20 (0.50) TAS1R3TAS1R1ZDHHC20ZDHHC2TSHR
SCHEMBL10877800 0.95 TAS1R3 (0.51) TAS1R3TAS1R1ZDHHC20ZDHHC2TSHR
SCHEMBL9314528 0.93 ZDHHC20 (0.53) TAS1R3TAS1R1ZDHHC20ZDHHC2TSHR
SCHEMBL27456857 0.91 ZDHHC20 (0.48) TAS1R3TAS1R1ZDHHC20ZDHHC2TSHR
SCHEMBL28051928 0.91 TAS1R3 (0.58) TAS1R3TAS1R1ZDHHC20ZDHHC2TSHR
SCHEMBL7211081 0.89 ZDHHC20 (0.49) TAS1R3TAS1R1ZDHHC20ZDHHC2TSHR
SCHEMBL9314536 0.88 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRPLA2G2CTHRA
SCHEMBL6514878 0.88 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRPLA2G2CTHRA

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-1244719-B1 COMPOSITIONS AND ARTICLES MADE THEREFROM 3M INNOVATIVE PROPERTIES CO (US) 2005-01-19 EP disclosed
EP-1244719-A1 COMPOSITIONS AND ARTICLES MADE THEREFROM 3M Innovative Properties Company (US) 2002-10-02 EP disclosed
US-6416838-B1 CROSSLINKABLE MIXTURE CONTAINING UNSATURATED ESTER AND AMIDE MONOMERS, POLYMER HAVING SPECIFIED MOLECULAR RANGE AND SURFACE-MODIFIED PARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2002-07-09 US disclosed
WO-2001030872-A1 COMPOSITIONS AND ARTICLES MADE THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-05-03 WO disclosed