SCHEMBL6536035

SCHEMBL6536035

COC1(OCc2ccccc2)C=C(C=O)C(c2ccccc2)C=C1O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.34
AR P10275 4/20 0.32
ALDH1A1 P00352 2/20 0.31
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6536412 0.82
SCHEMBL6536023 0.74
SCHEMBL16143743 0.62 ALDH1A1 (0.35) ALDH1A1FABP7FABP5MAPK1L3MBTL1
Formic Acid Methyl Ester SCHEMBL28511174 0.56 OPRM1 (0.49) ALDH1A1MAPK1LMNA
Hydroxyamine SCHEMBL27588656 0.55 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1LMNASLC1A3
SCHEMBL22394368 0.55 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1LMNAHPGD
Phenol SCHEMBL27648750 0.55 LMNA (0.54) ALDH1A1MAPK1L3MBTL1LMNAHPGD
Phenol SCHEMBL28213971 0.54 LMNA (0.48) ALDH1A1MAPK1L3MBTL1LMNASLC1A3
SCHEMBL5304631 0.54 FNTA (0.53) ALDH1A1MAPK1L3MBTL1LMNAMEN1
SCHEMBL23704793 0.53 ALDH1A1 (0.39) ALDH1A1SLC1A3SLC1A2SLC1A1MEN1

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