SCHEMBL30121097

SCHEMBL30121097

COC(=O)c1cc(NC(=O)c2cc(OCc3ccccc3)cc(C(=O)Nc3ccc(O)c(C(=O)OC)c3)c2OCc2ccccc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ EGFR P00533 2/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ MAOB P27338 2/20 0.47
▸ LRRK2 Q5S007 2/20 0.47
▸ NOX4 Q9NPH5 1/20 0.46
▸ MCL1 Q07820 1/20 0.45

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
SCHEMBL23803647 1.00 LMNA (0.53) LMNAHPGDEGFRNPC1RAB9A
SCHEMBL30031983 1.00 LMNA (0.53) LMNAHPGDEGFRNPC1RAB9A
SCHEMBL30032553 0.90 MCL1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23803632 0.90 MCL1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30032667 0.90 MCL1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30031861 0.85 GAA (0.56) LMNAHPGDEGFRNPC1RAB9A
SCHEMBL30032531 0.85 GAA (0.56) LMNAHPGDEGFRNPC1RAB9A
SCHEMBL23803651 0.85 GAA (0.56) LMNAHPGDEGFRNPC1RAB9A
SCHEMBL710202 0.82 MAOB (0.63) LMNAHPGDEGFRNPC1RAB9A
SCHEMBL29717105 0.82 MAOB (0.63) LMNAHPGDEGFRNPC1RAB9A

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
EP-4118069-A1 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS OM Pharma SA (CH) 2023-01-18 — — EP disclosed
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