SCHEMBL11124129

SCHEMBL11124129

CCN(CC)CCOCC(C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL8422948 0.89 HSD17B10 (0.58) HSD17B10MEN1POLBKMT2ATDP1
SCHEMBL17244862 0.84 HSD17B10 (0.54) HSD17B10TDP1SPHK1MAPK1
SCHEMBL8578960 0.82 MEN1 (0.48) HSD17B10MEN1POLBKMT2AKDM4E
SCHEMBL10394501 0.81 HSD17B10 (0.54) HSD17B10TDP1KDM4ELMNASPHK1
SCHEMBL5709862 0.81 HSD17B10 (0.50) HSD17B10TDP1SPHK1ALDH1A1MAPK1
SCHEMBL27847722 0.79 HSD17B10 (0.59) HSD17B10TDP1KDM4ELMNACYP1A2
SCHEMBL22184548 0.77 HSD17B10 (0.56) HSD17B10TDP1KDM4ELMNACYP1A2
SCHEMBL4537695 0.77 HSD17B10 (0.56) HSD17B10TDP1KDM4ELMNACYP1A2
SCHEMBL5709865 0.76 HSD17B10 (0.54) HSD17B10TDP1SPHK1MAPK1
SCHEMBL6555797 0.75 HSD17B10 (0.74) HSD17B10MEN1KMT2ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4380591-A POLYESTER URETHANE COPOLYMER UNION CARBIDE CORPORATION (US) 1983-04-19 US disclosed
US-4379757-A Tertiary amine catalyst mixtures useful in cellular polyurethane formation UNION CARBIDE CORPORATION (US) 1983-04-12 US disclosed
EP-0048985-A1 Process for cellular polyurethane formation using tertiary amine catalyst mixtures UNION CARBIDE CORPORATION (US) 1982-04-07 EP disclosed