SCHEMBL3628612

SCHEMBL3628612

CC(=O)CCC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 4/20 0.53
LMNA P02545 4/20 0.53
RECQL P46063 2/20 0.53
MAPK1 P28482 2/20 0.53
ALOX15 P16050 1/20 0.53
APEX1 P27695 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
HDAC1 Q13547 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SRD5A2 P31213 1/20 0.48
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MMP1 P03956 1/20 0.45
HTT P42858 2/20 0.44

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
SCHEMBL7079689 0.92 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL11686001 0.85 SMN1; SMN2 (0.62) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL2051247 0.85 KMT2A (0.63) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL1986727 0.83 ALDH1A1 (0.69) MAPTALDH1A1SMN1; SMN2HPGDHDAC1
SCHEMBL1177079 0.82 RAB9A (0.70) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL11353543 0.82 HSD17B3 (0.62) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL24433809 0.81 RAB9A (0.58) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL14041012 0.81 RAB9A (0.58) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL13278315 0.81 SMN1; SMN2 (0.46) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL1861084 0.81 RAB9A (0.58) RAB9ANPC1MAPTALDH1A1LMNA

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 4 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
US-7235665-B2 Process for the production of piperidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed