SCHEMBL19977299

SCHEMBL19977299

CC(C)(C)Oc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
RIPK1 Q13546 1/20 0.33
PPARA Q07869 5/20 0.33
PPARG P37231 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL19977304 1.00 KIF11 (0.40) KIF11SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL19977306 1.00 KIF11 (0.40) KIF11SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL19977307 0.91 SLC6A2 (0.37) KIF11SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL3139630 0.86 KIF11 (0.34) KIF11
SCHEMBL7861289 0.80 NPC1 (0.43) KIF11RIPK1PPARAPPARGALDH1A1
SCHEMBL10405698 0.79 CA4 (0.48) KIF11SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL93074 0.79 CA4 (0.48) KIF11SLC6A2SLC6A4SLC6A3RIPK1
Phosphine SCHEMBL20897416 0.77 CA4 (0.46) KIF11SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL26746 0.76 SLC6A2 (0.44) KIF11SLC6A2SLC6A4SLC6A3RIPK1
SCHEMBL2733315 0.76 LTA4H (0.57) KIF11RIPK1PPARAPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180081272-A1 THERMAL CROSSLINKING ACCELERATOR, POLYSILOXANE-CONTAINING RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SAME, AND PATTERNING PROCESS USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-22 US disclosed