SCHEMBL9719720

SCHEMBL9719720

CCCCC(CC)CNCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 2/20 0.60
KDM4E B2RXH2 1/20 0.48
CA2 P00918 3/20 0.47
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1B1 P15121 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G2A P14555 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL10610177 0.92 TSHR (0.51) TSHRALDH1A1CYP3A4KDM4ECA2
SCHEMBL11417438 0.92 TSHR (0.58) TSHRALDH1A1CYP3A4KDM4ECA2
SCHEMBL5256983 0.86 TSHR (0.64) TSHRALDH1A1CYP3A4KDM4ECA2
SCHEMBL25214299 0.83 CA2 (0.65) TSHRALDH1A1CYP3A4KDM4ECA2
SCHEMBL11085613 0.83 TSHR (0.56) TSHRALDH1A1CYP3A4KDM4ECA2
Carbamic Acid SCHEMBL28268038 0.83 TSHR (0.60) TSHRALDH1A1CYP3A4KDM4ECA2
SCHEMBL27654343 0.82 TSHR (0.49) TSHRALDH1A1CYP3A4KDM4ECA2
Acetic Acid SCHEMBL11239040 0.82 TSHR (0.76) TSHRALDH1A1CYP3A4KDM4ECA2
SCHEMBL4909383 0.81 TSHR (0.82) TSHRALDH1A1CYP3A4KDM4ECA2
SCHEMBL5433467 0.80 TSHR (0.53) TSHRALDH1A1CYP3A4KDM4ECA2

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
US-9811014-B2 Yellow toner and production method therefor CANON KABUSHIKI KAISHA (JP) 2017-11-07 US disclosed
US-20150378273-A1 YELLOW TONER AND PRODUCTION METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2015-12-31 US disclosed
EP-0271816-B1 CURABLE POLYESTER-MOULDING COMPOSITIONS BASF Aktiengesellschaft (DE) 1992-03-11 EP disclosed
EP-0271816-A2 Curable polyester-moulding compositions BASF Aktiengesellschaft (DE) 1988-06-22 EP disclosed