SCHEMBL8450311

SCHEMBL8450311

CCC/C=C/c1cc(C(=O)O)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
PTGS2 P35354 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
APP P05067 1/20 0.43
ERN1 O75460 2/20 0.43
HTT P42858 1/20 0.42
F10 P00742 3/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41

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
SCHEMBL30585894 0.88 F7 (0.46) MAPTKDM4EPDE5A
SCHEMBL7988164 0.87 CA1 (0.48) CA1CA2POLBGAAMAPT
SCHEMBL7988161 0.87 CA1 (0.48) CA1CA2POLBGAAMAPT
SCHEMBL2835105 0.80 RAB9A (0.44) POLBGAAHTTMEN1NPC1
SCHEMBL7988025 0.78 MAPT (0.53) CA1CA2POLBGAAMAPT
SCHEMBL7988028 0.78 MAPT (0.53) CA1CA2POLBGAAMAPT
SCHEMBL27986574 0.76 PDE5A (0.49) PTPN11PDE5AALDH1A1
SCHEMBL23002831 0.76 PRKCI (0.46) CA1CA2MAPTKDM4EPTGS2
Alcohol SCHEMBL29092112 0.76 ERN1 (0.63) CA1CA2POLBGAAMAPT
SCHEMBL6223194 0.75 ALDH1A1 (0.48) CA1CA2POLBMAPTL3MBTL1

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-1999064379-A2 BIOMIMETIC COMBINATORIAL SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-12-16 WO disclosed