SCHEMBL10080464

SCHEMBL10080464

COc1ccc2c3c(c4ccccc4c2c1)C(=O)OC3=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 8/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
LMNA P02545 3/20 0.55
MAOA P21397 2/20 0.55
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 5/20 0.50
CASP3 P42574 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
POLB P06746 1/20 0.50
STAT1 P42224 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ABCB1 P08183 1/20 0.47
HTT P42858 2/20 0.45

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
SCHEMBL1615040 0.83 MAPT (0.59) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL17536913 0.83 MAPT (0.59) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL3456619 0.83 MAPT (0.59) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL2021618 0.83 MAPT (0.59) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL18133359 0.77 CYP1A2 (0.61) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL13070418 0.77 MAPT (0.53) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL6311246 0.77 ACHE (0.55) MAPTL3MBTL1MAOANPC1RAB9A
SCHEMBL17133042 0.77 ALDH1A1 (0.58) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL17133046 0.77 ALDH1A1 (0.58) MAPTALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL6392102 0.77 ALOX15 (0.48) MAPTALDH1A1KDM4ELMNAMAOA

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-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 WO disclosed