SCHEMBL27779575

SCHEMBL27779575

CC=Cc1ccc(-c2ccc(OC)c(OC)c2OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ ERN1 O75460 1/20 0.44
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ TYR P14679 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40

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
SCHEMBL13394232 0.82 ALDH1A1 (0.46) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL18088066 0.79 ALDH1A1 (0.46) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL18134248 0.79 ALDH1A1 (0.46) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL29788008 0.74 HDAC4 (0.53) LMNAKDM4EALDH1A1ERN1HPGD
SCHEMBL4579619 0.74 HDAC4 (0.53) LMNAKDM4EALDH1A1ERN1HPGD
SCHEMBL29364192 0.74 HDAC4 (0.53) LMNAKDM4EALDH1A1ERN1HPGD
SCHEMBL1370802 0.74 HDAC4 (0.53) LMNAKDM4EALDH1A1ERN1HPGD
SCHEMBL642228 0.73 HDAC4 (0.58) LMNAKDM4EALDH1A1ERN1HPGD
SCHEMBL7868950 0.72 CYP1A1 (0.54) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL7260001 0.72 ERN1 (0.49) LMNAKDM4EALDH1A1ERN1HPGD

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
CN-101495183-A Treating muscular disorders and improving muscular function DSM IP ASSETS BV (NL) 2009-07-29 — — CN disclosed
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