SCHEMBL30384576

SCHEMBL30384576

O=C(Oc1cccc2cc3ccccc3cc12)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ ESR1 P03372 1/20 0.62
▸ ESR2 Q92731 1/20 0.62
▸ POLB P06746 2/20 0.54
▸ ELANE P08246 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL6941070 0.87 KMT2A (0.85) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL13004869 0.83 ESR1 (0.85) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL28894550 0.82 L3MBTL1 (0.49) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL28894842 0.82 MEN1 (0.56) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL10571601 0.81 ESR1 (0.66) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL16756210 0.81 ESR1 (0.66) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL16756220 0.81 ESR1 (0.66) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL2406824 0.80 ESR1 (0.61) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL16756223 0.79 ESR1 (0.63) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL14936956 0.79 KMT2A (1.00) KMT2AL3MBTL1MEN1RAB9AESR1

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-115968405-A Microbiologically produced palm oil substitute C16生物科学有限公司 2023-04-14 — — CN disclosed
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