SCHEMBL3627480

SCHEMBL3627480

Cc1c(C(=O)C=O)cccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 7/20 0.47
▸ CD274 Q9NZQ7 7/20 0.47
▸ HNF4A P41235 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ BCAT2 O15382 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MYC P01106 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ GPR52 Q9Y2T5 1/20 0.41
▸ SUCNR1 Q9BXA5 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
SCHEMBL27634897 0.83 BCAT2 (0.53) HNF4ASMN1; SMN2MEN1KMT2ABCAT2
SCHEMBL7864455 0.83 BCAT2 (0.59) HNF4ASMN1; SMN2MEN1KMT2ABCAT2
SCHEMBL121422 0.82 HNF4A (0.63) PDCD1CD274HNF4ASMN1; SMN2MEN1
SCHEMBL13065950 0.80 PDCD1 (0.52) PDCD1CD274HNF4ASMN1; SMN2MEN1
Water SCHEMBL11415614 0.79 HNF4A (0.47) HNF4ASMN1; SMN2MEN1KMT2ABCAT2
Water SCHEMBL11409301 0.79 HNF4A (0.47) HNF4ASMN1; SMN2MEN1KMT2ABCAT2
SCHEMBL30034930 0.79 BCAT2 (0.69) PDCD1CD274HNF4ASMN1; SMN2MEN1
SCHEMBL530285 0.79 BCAT2 (0.69) PDCD1CD274HNF4ASMN1; SMN2MEN1
SCHEMBL28251634 0.79 PDCD1 (0.50) PDCD1CD274HNF4ASMN1; SMN2MEN1
SCHEMBL11528273 0.77 HNF4A (0.49) HNF4ASMN1; SMN2MEN1KMT2ABCAT2

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
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 — — US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 — — US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 — — WO disclosed
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