SCHEMBL4729669

SCHEMBL4729669

COc1c(O)cc2c(c1O)C(=O)c1cc(C)ccc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.58
▸ PIM1 P11309 1/20 0.55
▸ ACLY P53396 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ GLA P06280 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ LIMK1 P53667 1/20 0.49
▸ LIMK2 P53671 1/20 0.49
▸ EPHX2 P34913 3/20 0.48
▸ ELANE P08246 4/20 0.47
▸ BCL2 P10415 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL28872297 0.87 EPHX2 (0.63) LCKPIM1ACLYMAPTALDH1A1
SCHEMBL30485987 0.86 LCK (0.58) LCKPIM1ACLYMAPTALDH1A1
SCHEMBL18601895 0.85 MAPT (0.65) LCKPIM1MAPTALDH1A1GLA
SCHEMBL5968251 0.83 BCL2 (0.67) LCKACLYMAPTALDH1A1ELANE
SCHEMBL26136410 0.82 ELANE (0.57) LCKPIM1ACLYMAPTALDH1A1
SCHEMBL16226054 0.82 EPHX2 (0.57) LCKPIM1MAPTALDH1A1GLA
SCHEMBL31441199 0.79 EPHX2 (0.64) LCKPIM1MAPTALDH1A1GLA
SCHEMBL24148896 0.79 TTR (0.70) LCKACLYMAPTALDH1A1THRB
SCHEMBL27796804 0.79 TTR (0.70) LCKACLYMAPTALDH1A1THRB
SCHEMBL30334888 0.78 ELANE (0.73) LCKPIM1ACLYMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008053481-A1 MICRONEEDLE ARRAYS SVIP 6 LLC (US) 2008-05-08 — — WO disclosed
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