SCHEMBL7583697

SCHEMBL7583697

COC(=O)COc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 2/20 0.49
PSMB5 P28074 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
PKM P14618 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5081589 0.83 KDM4E (0.60) TSHRRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7969480 0.81 TSHR (0.55) TSHRRAB9ASMN1; SMN2NPC1PSMB5
SCHEMBL1291191 0.81 TSHR (0.56) TSHRRAB9ASMN1; SMN2NPC1POLB
SCHEMBL3891985 0.81 TSHR (0.54) TSHRRAB9ASMN1; SMN2NPC1POLB
SCHEMBL240655 0.81 SMN1; SMN2 (0.46) TSHRRAB9ASMN1; SMN2NPC1POLB
SCHEMBL30746861 0.79 ALOX15 (0.55) TSHRRAB9ASMN1; SMN2NPC1POLB
SCHEMBL176214 0.79 ALOX15 (0.55) TSHRRAB9ASMN1; SMN2NPC1POLB
Hydrochloric Acid SCHEMBL1280719 0.78 ALOX15 (0.53) TSHRRAB9ASMN1; SMN2NPC1POLB
SCHEMBL21325450 0.78 TSHR (0.51) TSHRRAB9ASMN1; SMN2NPC1POLB
Hydrochloric Acid SCHEMBL31124708 0.78 ALOX15 (0.53) TSHRRAB9ASMN1; SMN2NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1131217-C Phenylpyrrole compound, preparation method thereof and antihyperlipidemic drug NIPPON SODA CO (JP) 2003-12-17 CN disclosed
WO-2002098227-A1 PLANT GROWTH REGULATORS FOR COTTON HERVEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-12 WO disclosed
US-6342516-B1 AMINOCARBONYL COMPOUNDS WITH IMIDAZOLE OR PYRAZOLE RINGS NIPPON SODA CO., LTD. (JP) 2002-01-29 US disclosed
CN-1310712-A Phenylpyrrole compound, preparation method thereof and antihyperlipidemic drug NIPPON SODA CO (JP) 2001-08-29 CN disclosed
EP-1101759-A1 PHENYLAZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND DRUGS FOR HYPERLIPEMIA NIPPON SODA CO., LTD. (JP) 2001-05-23 EP disclosed