SCHEMBL29282943

SCHEMBL29282943

O=C(OCc1ccccc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
RAB9A P51151 3/20 0.52
BRAF P15056 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NTSR1 P30989 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
GLO1 Q04760 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL8716892 0.84 RAB9A (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL10481060 0.82 GLO1 (0.75) NR1H4MAPTLMNARAB9ASMN1; SMN2
SCHEMBL10481063 0.82 GLO1 (0.75) NR1H4MAPTLMNARAB9ASMN1; SMN2
SCHEMBL11742324 0.81 GLO1 (0.64) NR1H4MAPTLMNARAB9ASMN1; SMN2
SCHEMBL29282944 0.80 NR1H4 (0.67) NR1H4MAPTLMNARAB9ANPSR1
SCHEMBL1856657 0.80 GLO1 (0.66) NR1H4MAPTLMNARAB9ASMN1; SMN2
SCHEMBL7642680 0.79 RAB9A (0.56) MAPTRAB9ANPSR1MEN1KMT2A
SCHEMBL6645015 0.78 RAB9A (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL6151831 0.78 RAB9A (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL11688684 0.78 RAB9A (0.54) LMNARAB9AKMT2ANPC1

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
CN-118063648-A Solid catalyst component for propylene polymerization and propylene polymerization catalyst system 中国石油天然气股份有限公司 2024-05-24 CN disclosed