SCHEMBL6536199

SCHEMBL6536199

CCc1c[c]c(OC)c(-c2cc(C)ccc2OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
MDM2 Q00987 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTR7 P34969 2/20 0.35
PTGS2 P35354 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL4437892 0.84 L3MBTL1 (0.31) SMN1; SMN2L3MBTL1MAPTCYP2C9HPGD
SCHEMBL8940769 0.72 HTR7 (0.53) ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1
SCHEMBL24196241 0.71 L3MBTL1 (0.44) ACHEALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL15063609 0.68 PTGS2 (0.36) PTGS2MAPT
SCHEMBL22375031 0.67 MAPT (0.50) ACHEALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL3857605 0.67 ACHE (0.58) ACHEALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL4429702 0.65 ACHE (0.46) ACHEALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL7911724 0.64 GABRA1 (0.54) ACHEALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL27985066 0.64 MAPT (0.54) ACHEALDH1A1CYP3A4KDM4ESMN1; SMN2
SCHEMBL15063740 0.64 PTGS2 (0.50) ALDH1A1KDM4EPTGS2MAPK1POLB

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