SCHEMBL8585641

SCHEMBL8585641

COc1ccc(C(O)CCCCCn2ccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ATM Q13315 1/20 0.60
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
TSHR P16473 2/20 0.53
MAOB P27338 1/20 0.53
QPCT Q16769 1/20 0.53
TBXAS1 P24557 5/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9262602 1.00 MEN1 (0.60) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL11385987 0.84 MEN1 (0.50) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL11150973 0.84 TBXAS1 (0.56) TBXAS1
SCHEMBL11666655 0.83 ALDH1A1 (0.56) ALDH1A1TBXAS1TP53
SCHEMBL11750244 0.83 CYP19A1 (0.63) QPCTTBXAS1
SCHEMBL11635829 0.83 ALDH1A1 (0.56) ALDH1A1TBXAS1TP53
SCHEMBL11500261 0.82 PKM (0.50) ALDH1A1TBXAS1LMNACYP3A4TP53
SCHEMBL11636280 0.82 TBXAS1 (0.71) QPCTTBXAS1
SCHEMBL11637474 0.82 TBXAS1 (0.71) QPCTTBXAS1
SCHEMBL8836204 0.82 CYP19A1 (0.67) MEN1KMT2AALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP claimed
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed
US-5459144-A Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor SCHERING CORPORATION (US) 1995-10-17 US disclosed
US-5272167-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-12-21 US disclosed
EP-0560407-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-09-15 EP disclosed
WO-1991000858-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS SCHERING CORPORATION (US) 1991-01-24 WO disclosed
EP-0407217-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1991-01-09 EP disclosed
US-4851423-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1989-07-25 US disclosed
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP disclosed