SCHEMBL5177629

SCHEMBL5177629

COCC(C)c1ccc(C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP4A11 Q02928 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
DPP4 P27487 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
SCHEMBL14966306 0.86 MAPT (0.51) MAPTCA1CA2TDP1CA12
SCHEMBL1791209 0.84 L3MBTL1 (0.52) MAPTCA1CA2TDP1CA12
SCHEMBL14966780 0.84 CA1 (0.52) MAPTCA1CA2TDP1CA12
SCHEMBL3659071 0.84 MAPK1 (0.49) MAPTCA1CA2KMT2ATSHR
SCHEMBL16684851 0.84 L3MBTL1 (0.52) MAPTCA1CA2TDP1CA12
SCHEMBL8735702 0.82 LOXL2 (0.58) MAPTCA1CA2TDP1CA12
SCHEMBL19940311 0.82 MAPT (0.50) MAPTCA1CA2TDP1CA12
SCHEMBL27542641 0.82 MAPT (0.50) MAPTCA1CA2TDP1CA12
SCHEMBL14967316 0.81 MAPT (0.63) MAPTTDP1RAB9AMEN1KMT2A
SCHEMBL4210049 0.81 FFAR1 (0.53) MAPTCA1CA2TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed