SCHEMBL11538433

SCHEMBL11538433

C#CCOC(=O)CCCCCCCC(=O)OCC#C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.56
EPHX2 P34913 1/20 0.51
DGKA P23743 1/20 0.45
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PAM P19021 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
DNM1 Q05193 1/20 0.37
LMNA P02545 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37

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
SCHEMBL11538420 1.00 GSTP1 (0.62) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10011215 1.00 GSTP1 (0.62) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL1482992 0.98 GSTP1 (0.65) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10011454 0.93 GSTP1 (0.59) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL3775783 0.92 GSTP1 (0.56) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL19086174 0.92 GSTP1 (0.56) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL10476495 0.92 GSTP1 (0.56) GSTP1L3MBTL1EPHX2TSHRALDH1A1
SCHEMBL10012282 0.90 GSTP1 (0.54) GSTP1L3MBTL1EPHX2DGKATSHR
SCHEMBL3962198 0.90 L3MBTL1 (0.69) GSTP1L3MBTL1DGKATSHRALDH1A1
SCHEMBL7637894 0.90 L3MBTL1 (0.69) GSTP1L3MBTL1DGKATSHRALDH1A1

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-4134812-A BLENDING WITH TETRAKIS-(METHYLENE-(3,5-DI-T-BUTYL)-4-HYDROXY-HYDROCINNAMATE)-METHANE, CROSSLINKING WITH AN ACETYLENIC COMPOUND THE FURUKAWA ELECTRIC CO., LTD. (JP) 1979-01-16 US disclosed
US-4113595-A POLYOLEFIN, ACETYLENIC COMPOUND, SECONDARY AMINE JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1978-09-12 US disclosed