SCHEMBL28189372

SCHEMBL28189372

CCCCCCCCC(CC)(CO)NCC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
GGPS1 O95749 6/20 0.35
FDPS P14324 9/20 0.34
SMPD1 P17405 2/20 0.33
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL8499691 0.92 LMNA (0.39) HRH3LMNAALDH1A1HSD17B10MEN1
SCHEMBL28188802 0.92 HRH3 (0.32) HRH3ALDH1A1
SCHEMBL27566071 0.83 ALDH1A1 (0.33) HRH3LMNAALDH1A1HSD17B10MEN1
SCHEMBL638854 0.83 TSHR (0.42) TSHRGGPS1FDPSSMPD1CES2
Hydrochloric Acid SCHEMBL28163966 0.81 TSHR (0.40) TSHRGGPS1FDPSSMPD1CES2
Propylamine SCHEMBL7723167 0.80 DNM1 (0.41) ALDH1A1MEN1KMT2ATSHRGGPS1
SCHEMBL7708444 0.79 TSHR (0.38) TSHRGGPS1FDPSSMPD1CES2
SCHEMBL7197318 0.78
SCHEMBL8500458 0.78 EPHX1 (0.39) HRH3LMNAALDH1A1HSD17B10MEN1
SCHEMBL8497312 0.78 EPHX1 (0.39) HRH3LMNAALDH1A1HSD17B10MEN1

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-104220413-B Method for producing 4-hydroxybutyl acrylate 大阪有机化学工业株式会社 2018-12-04 CN disclosed
CN-105339341-B Production system for (meth) acrylic acid ester 大阪有机化学工业株式会社 2018-02-13 CN disclosed