SCHEMBL16637592

SCHEMBL16637592

CC(c1cccnn1)C(O)C(O)C(O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.32
GOT1 P17174 1/20 0.31
P2RX7 Q99572 1/20 0.31
FFAR2 O15552 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
SCHEMBL28595048 0.80 GOT1 (0.33) CYP1A2GOT1P2RX7
SCHEMBL28748 0.79
SCHEMBL23119168 0.77 GOT1 (0.37) CYP1A2CTDSP1GOT1P2RX7FFAR2
SCHEMBL22023659 0.77 GOT1 (0.37) CYP1A2CTDSP1GOT1P2RX7FFAR2
SCHEMBL19413114 0.77 GOT1 (0.37) CYP1A2CTDSP1GOT1P2RX7FFAR2
SCHEMBL27732107 0.75
SCHEMBL4269628 0.74
SCHEMBL807732 0.74
SCHEMBL15170641 0.73 GOT1 (0.32) CYP1A2GOT1
Hydrochloric Acid SCHEMBL31617543 0.73 GOT1 (0.37) CYP1A2GOT1P2RX7FFAR2

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
WO-2015054452-A1 KERATIN CONDITIONING BIO-BASED POLYMERS FOR USE IN PERSONAL CARE COMPOSITIONS BASF SE (DE) 2015-04-16 WO disclosed