SCHEMBL8719219

SCHEMBL8719219

CCCCC1=C(C(=O)O)CC1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.39
SCD O00767 1/20 0.37
RARB P10826 5/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
HCAR3 P49019 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL14637658 0.80 KMT2A (0.36) DNTTSCDRARBALDH1A1HPGD
SCHEMBL294898 0.67 SCD (0.44) SCDRARBALDH1A1HPGDHSD17B10
SCHEMBL344894 0.66
SCHEMBL14192650 0.64
SCHEMBL3912948 0.64 DUSP3 (0.37) SCDRARBALDH1A1HPGDHSD17B10
SCHEMBL8362389 0.64 SCD (0.42) SCDRARBALDH1A1HPGDHSD17B10
SCHEMBL5472307 0.64 HCAR2 (0.36) SCDALDH1A1HCAR2MEN1CYP1A2
SCHEMBL30901517 0.64 PPP5C (0.36) SCDRARBALDH1A1HPGDHSD17B10
SCHEMBL31670830 0.64 SCD (0.42) SCDRARBALDH1A1HPGDHSD17B10
SCHEMBL4971476 0.64 HCAR2 (0.36) SCDALDH1A1HCAR2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759733-A TONER COMPRISING A COLORANT, RESIN AND A HYDROCARBON CARRIER LIQUID RICOH COMPANY, LTD. (JP) 1998-06-02 US disclosed