SCHEMBL6536508

SCHEMBL6536508

COc1ccc(-c2ccccc2O)c(C=O)c1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
LCK P06239 1/20 0.40
GLA P06280 1/20 0.40
THRB P10828 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTPRF P10586 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
AOX1 Q06278 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL6535943 0.72 ALDH1A1 (0.45) ERN1ALDH1A1MAPTLCKGLA
SCHEMBL24436839 0.71 TP53 (0.53) ERN1ALDH1A1MAPTNPC1RAB9A
SCHEMBL30564540 0.71 NPC1 (0.46) ERN1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL28156549 0.70 HDAC4 (0.59) ERN1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL13982153 0.69 ERN1 (0.58) ERN1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL10923461 0.67 ERN1 (0.53) ERN1ALDH1A1MAPTLCKGLA
SCHEMBL27470653 0.67 ALDH1A1 (0.46) ALDH1A1MAPTCA1CA2TP53
SCHEMBL6536016 0.67 ERN1 (0.50) ERN1HDAC4HDAC2HDAC8ALDH1A1
SCHEMBL28614351 0.67 SRC (0.56) ERN1ALDH1A1NPC1RAB9ACA1
SCHEMBL12766891 0.67 ERN1 (0.59) ERN1HDAC4HDAC2HDAC8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed