SCHEMBL8435835

SCHEMBL8435835

CCOC(=O)/C(=N/OC)c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
GAA P10253 3/20 0.46
DHODH Q02127 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HIF1A Q16665 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
PLIN1 O60240 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL8435839 1.00 TSHR (0.47) TSHRGAADHODHKMT2AMEN1
SCHEMBL6155893 0.85 HIF1A (0.51) KMT2AMEN1RAB9ANPC1HIF1A
SCHEMBL29445316 0.85 HIF1A (0.51) KMT2AMEN1RAB9ANPC1HIF1A
SCHEMBL7040691 0.85 HIF1A (0.51) KMT2AMEN1RAB9ANPC1HIF1A
SCHEMBL29810082 0.85 HIF1A (0.51) KMT2AMEN1RAB9ANPC1HIF1A
SCHEMBL3747106 0.85 HIF1A (0.51) KMT2AMEN1RAB9ANPC1HIF1A
SCHEMBL29883529 0.85 HIF1A (0.51) KMT2AMEN1RAB9ANPC1HIF1A
SCHEMBL9026557 0.83 ERCC5 (0.42) TSHRGAAKMT2AMEN1SMN1; SMN2
SCHEMBL8613981 0.82 HIF1A (0.53) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3625146 0.82 HIF1A (0.47) TSHRKMT2AMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11189580-A None JP disclosed
CN-114773204-A Method for continuously preparing benzyl bromide derivative 浙江禾本科技股份有限公司 2022-07-22 CN disclosed
JP-H11189580-A PRODUCTION OF BENZYL BROMIDE DERIVATIVE SUMITOMO CHEM CO LTD 1999-07-13 JP disclosed