SCHEMBL19599183

SCHEMBL19599183

CC(C)(C)N1C(=O)CC2C3CC(=O)N(C(C)(C)C)C(=O)C3C2C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.32
HIF1A Q16665 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 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
SCHEMBL19599177 0.92 CYP2C19 (0.40) CYP2C19HSD17B10CYP2D6MAPK1POLB
SCHEMBL19599188 0.91 CYP2C19 (0.38) CYP2C19HSD17B10CYP2D6MAPK1POLB
SCHEMBL19599187 0.88 CYP2C19 (0.35) CYP2C19HSD17B10CYP2D6MAPK1HIF1A
SCHEMBL19599176 0.85 CYP2D6 (0.36) CYP2C19HSD17B10CYP2D6MAPK1
SCHEMBL19599173 0.80 CYP2C19 (0.41) CYP2C19HSD17B10CYP2D6MAPK1POLB
SCHEMBL19599190 0.80 CYP2C19 (0.35) CYP2C19HSD17B10CYP2D6MAPK1HIF1A
SCHEMBL19599181 0.77 CYP2D6 (0.37) CYP2C19HSD17B10CYP2D6MAPK1
SCHEMBL19702964 0.77 CYP2C19 (0.40) CYP2C19HSD17B10CYP2D6MAPK1POLB
SCHEMBL19604063 0.76 CYP2C19 (0.36) CYP2C19HSD17B10CYP2D6MAPK1POLB
SCHEMBL18811909 0.76 POLB (0.33) CYP2C19HSD17B10CYP2D6MAPK1POLB

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-20170327745-A1 LIQUID CRYSTAL ALIGNING AGENT, FILM, DEVICE HAVING THE SAME, AND METHOD FOR PRODUCING THE SAME XIAMEN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-11-16 US disclosed
US-20170327745-A1 LIQUID CRYSTAL ALIGNING AGENT, FILM, DEVICE HAVING THE SAME, AND METHOD FOR PRODUCING THE SAME XIAMEN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-11-16 US disclosed