SCHEMBL9837994

SCHEMBL9837994

CCOC(=O)C=C(C)c1cccc(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
POLB P06746 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
GALK1 P51570 1/20 0.34
CCR6 P51684 1/20 0.34
BLM P54132 1/20 0.34
MCL1 Q07820 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 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
SCHEMBL9837387 0.80 KIF11 (0.45) MAPTPOLBKMT2ALMNAKIF11
SCHEMBL5078615 0.75 MAPT (0.51) MAPTPOLBNPSR1KMT2AKDM4E
SCHEMBL2205707 0.75 MAPT (0.51) MAPTPOLBNPSR1KMT2AKDM4E
SCHEMBL2205704 0.75 MAPT (0.51) MAPTPOLBNPSR1KMT2AKDM4E
SCHEMBL29343549 0.73 TDP1 (0.47) MAPTPOLBNPSR1KMT2AKDM4E
SCHEMBL9835582 0.72 USP2 (0.39) POLBL3MBTL1ALDH1A1LMNATP53
SCHEMBL4145986 0.72 ALDH1A1 (0.50) MAPTPOLBNPSR1KDM4ERAB9A
SCHEMBL4145995 0.72 ALDH1A1 (0.50) MAPTPOLBNPSR1KDM4ERAB9A
SCHEMBL30152652 0.72 ALDH1A1 (0.50) MAPTPOLBNPSR1KDM4ERAB9A
SCHEMBL4145990 0.72 ALDH1A1 (0.50) MAPTPOLBNPSR1KDM4ERAB9A

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
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP disclosed