SCHEMBL30032667

SCHEMBL30032667

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ NR1H4 Q96RI1 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ DHODH Q02127 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SIRT6 Q8N6T7 2/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ CTSV O60911 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ SGMS2 Q8NHU3 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ SIRT3 Q9NTG7 1/20 0.47

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
SCHEMBL30032553 1.00 MCL1 (0.56) MCL1ALDH1A1MAPTKDM4ENPC1
SCHEMBL23803632 1.00 MCL1 (0.56) MCL1ALDH1A1MAPTKDM4ENPC1
SCHEMBL30121097 0.90 LMNA (0.53) MCL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL23803647 0.90 LMNA (0.53) MCL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL30031983 0.90 LMNA (0.53) MCL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL23803642 0.84 GAA (0.60) MCL1ALDH1A1MAPTKDM4ENPC1
SCHEMBL30031887 0.84 GAA (0.60) MCL1ALDH1A1MAPTKDM4ENPC1
SCHEMBL23809749 0.82 MEN1 (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL343794 0.79 MCL1 (0.78) MCL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23796860 0.79 MEN1 (0.65) MCL1ALDH1A1KDM4ESMN1; SMN2MEN1

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
CN-115279730-B 2, 5-Or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group, useful as medicaments OM药物公司 2025-02-14 — — CN disclosed
CN-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 — — CN disclosed
Send feedback