SCHEMBL6536124

SCHEMBL6536124

COC1=CC(C=O)(SC)C(c2ccccc2)C=C1O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL6535991 0.79 KDM4E (0.33) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL6536227 0.79 KDM4E (0.32) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL6536233 0.76 ADORA3 (0.32) ALDH1A1
SCHEMBL6536056 0.74 ERN1 (0.33) KDM4EALDH1A1LMNAMAPTSIRT1
SCHEMBL6535989 0.59
SCHEMBL4752286 0.54 POLB (0.31)
SCHEMBL23393891 0.52 CHRNA7 (0.44) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8734945 0.51 MAPT (0.34) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL5728436 0.51 CHRNA7 (0.40) ALDH1A1LMNAMEN1KMT2A
SCHEMBL9558947 0.50 KDM1A (0.34) CYP3A4MAPTMEN1KMT2A

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