SCHEMBL9057100

SCHEMBL9057100

CC1=CC(=O)C(C)=C(C)C1=NO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TXNRD1 Q16881 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ EEF2K O00418 1/20 0.31
▸ PLK1 P53350 1/20 0.31

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
SCHEMBL11420164 0.73 DDAH1 (0.42) DDAH1MEN1USP2ALDH1A1MAPT
SCHEMBL22805 0.67 MAPT (0.46) DDAH1MEN1USP2ALDH1A1GAA
SCHEMBL11421145 0.67 DUSP3 (0.31) —
SCHEMBL13804874 0.65 DDAH1 (0.37) DDAH1MEN1ALDH1A1MAPTMAPK1
SCHEMBL755506 0.62 ALDH1A1 (0.48) MEN1USP2ALDH1A1GAAMAPT
P-Xyloquinone SCHEMBL49964 0.61 PLK1 (0.60) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL3624714 0.61 ALDH1A1 (0.50) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL11422063 0.60 MAPT (0.42) ALDH1A1MAPTMAPK1RAB9ANPSR1
SCHEMBL3385146 0.59 MAPT (0.44) MEN1USP2ALDH1A1GAAMAPT
SCHEMBL1131347 0.59 IDO1 (0.36) MEN1USP2ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4237326-A SOLUTION OF METHYLATED BENZOQUINONE-4-OXIME MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1980-12-02 — — US claimed
WO-1996022089-A1 p-HETEROATOM-SUBSTITUTED PHENOLS AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 1996-07-25 — — WO disclosed
EP-0226064-B1 IMPROVED DEHYDROGENATION PROCESS FOR PRODUCTION OF STYRENE FROM ETHYLBENZENE COMPRISING LOW TEMPERATURE HEAT RECOVERY AND MODIFICATION OF THE ETHYL-BENZENE-STEAM FEED THEREWITH Lummus Crest, Inc. (US) 1990-04-18 — — EP disclosed
EP-0226064-A2 Improved dehydrogenation process for production of styrene from ethylbenzene comprising low temperature heat recovery and modification of the ethyl-benzene-steam feed therewith Lummus Crest, Inc. (US) 1987-06-24 — — EP disclosed
US-4628136-A Dehydrogenation process for production of styrene from ethylbenzene comprising low temperature heat recovery and modification of the ethylbenzene-steam feed therewith LUMMUS CREST, INC. (US) 1986-12-09 — — US disclosed
US-4376678-A Method of inhibiting polymerization of vinyl aromatic compounds AMERICAN HOECHST CORPORATION (US) 1983-03-15 — — US disclosed
US-4237326-A SOLUTION OF METHYLATED BENZOQUINONE-4-OXIME MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1980-12-02 — — US disclosed
US-4237326-A SOLUTION OF METHYLATED BENZOQUINONE-4-OXIME MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1980-12-02 — — US disclosed
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