SCHEMBL7430378

SCHEMBL7430378

COc1c(CCCc2ccccc2)[c]c(CC(C)c2cccnc2)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PDE4A P27815 1/20 0.36
KCNA5 P22460 4/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL8091559 0.85 TDP1 (0.48) L3MBTL1
SCHEMBL8095186 0.81 TDP1 (0.51) L3MBTL1
SCHEMBL8091417 0.79 HTR2A (0.38) KCNH2
SCHEMBL6567905 0.78 HTR2A (0.41) L3MBTL1
SCHEMBL8091400 0.75 L3MBTL1 (0.44) L3MBTL1
SCHEMBL8090038 0.75 ABCB1 (0.39) L3MBTL1
SCHEMBL1944199 0.72 CYP1A2 (0.55) L3MBTL1KCNA5LMNACYP1A2CYP3A4
SCHEMBL7434046 0.72 TDP1 (0.51) L3MBTL1
SCHEMBL7428315 0.72 KDM4E (0.41) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8083504 0.71 TDP1 (0.43) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed