SCHEMBL8593109

SCHEMBL8593109

CC(C)(C)c1ccc(OCc2ccccc2CC#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
TP53 P04637 3/20 0.46
APP P05067 1/20 0.45
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
NR4A2 P43354 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TMPRSS6 Q8IU80 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 3/20 0.39

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
SCHEMBL8590737 0.87 NPC1 (0.41) POLBRAB9AMAOBNPC1MAPT
SCHEMBL8593358 0.87 CD274 (0.36) POLBTP53APPNR4A2F2
SCHEMBL8592993 0.84 SOD1 (0.48) POLBLMNARAB9ANR4A2L3MBTL1
SCHEMBL8592217 0.83 FFAR1 (0.45) LMNARAB9ASMN1; SMN2F2PRSS1
SCHEMBL8597171 0.82 KDM4E (0.46) APPRAB9ANR4A2SMN1; SMN2F2
SCHEMBL8590712 0.80 LTA4H (0.49) RAB9AATML3MBTL1SMN1; SMN2F2
SCHEMBL8592650 0.80 TDP1 (0.44) RAB9AL3MBTL1RXRARXRBF2
SCHEMBL8597491 0.80 FFAR1 (0.45) POLBAPPRAB9ANR4A2L3MBTL1
SCHEMBL8593753 0.80 FFAR1 (0.45) APPLMNARAB9ARXRARXRB
SCHEMBL8594460 0.79 MRGPRX4 (0.35) LMNARAB9AL3MBTL1RXRARXRB

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
EP-0658543-B1 PROCESS FOR PRODUCING ALPHA-ALKOXYIMINOPHENYLACETONITRILE DERIVATIVE SHIONOGI & CO (JP) 1998-01-07 EP disclosed
EP-0658543-A1 PROCESS FOR PRODUCING $g(a)-ALKOXYIMINOPHENYLACETONITRILE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed