SCHEMBL7710176

SCHEMBL7710176

Oc1ccc(C#Cc2ccc(O)c(F)c2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.42
ESR1 P03372 5/20 0.41
ESR2 Q92731 5/20 0.41
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
GRM5 P41594 1/20 0.40
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
P4HB P07237 1/20 0.39
SHBG P04278 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
SNCA P37840 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
SCHEMBL6864978 0.88 P4HB (0.50) HNF4AESR1ESR2FFAR1FFAR4
SCHEMBL15014228 0.83 APP (0.59) KDM4ECA9
SCHEMBL19480152 0.82 ERN1 (0.41) GRM5
SCHEMBL6743389 0.81 KDM4E (0.41) ESR1ESR2HSD17B1HSD17B2KDM4E
SCHEMBL200168 0.81 P4HB (0.51) ESR1ESR2P4HBCA3CA6
SCHEMBL14307269 0.81 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2KDM4E
SCHEMBL29826346 0.81 P4HB (0.51) ESR1ESR2P4HBCA3CA6
SCHEMBL24476144 0.78 CYP2A6 (0.41) KDM4ESHBG
SCHEMBL22615017 0.76 HTR2C (0.41) KDM4E
SCHEMBL29235680 0.76 SHBG (0.34) ESR1ESR2HSD17B1HSD17B2FFAR1

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-6380340-B1 ACRYLATED ESTER CONTAINING ACETYLENIC BONDS UNIVERSITY OF DAYTON 2002-04-30 US disclosed
US-6369262-B1 RIGID-ROD MONOMERS AND POLYMERS ARE PROVIDED FOR USE IN APPLICATIONS SUCH AS RAPID PROTOTYPING, COMPOSITES AND ADHESIVES. UNIVERSITY OF DAYTON 2002-04-09 US disclosed