SCHEMBL9578051

SCHEMBL9578051

COCOc1ccc(CCC(=O)c2ccc(OCOC)cc2OCOC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CAPN1 P07384 2/20 0.48
▸ F2RL1 P55085 1/20 0.48
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ PKM P14618 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ ABCB1 P08183 2/20 0.45
▸ SLC5A1 P13866 3/20 0.45
▸ SLC5A2 P31639 3/20 0.45
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPT P10636 2/20 0.41

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
SCHEMBL9578143 0.92 MEN1 (0.61) MEN1KMT2ACAPN1F2RL1NPC1
SCHEMBL9578198 0.91 SMN1; SMN2 (0.49) MEN1KMT2ACAPN1F2RL1NPC1
SCHEMBL9578154 0.82 NFKB1 (0.61) MEN1KMT2ALMNANFKB1NFKB2
SCHEMBL7770564 0.81 KDM4E (0.43) CAPN1NPC1RAB9APKMSMN1; SMN2
SCHEMBL29056506 0.81 RXFP1 (0.45) MEN1KMT2ACAPN1NPC1RAB9A
SCHEMBL4133126 0.78 RXFP1 (0.43) MEN1KMT2ACAPN1NPC1RAB9A
SCHEMBL31088170 0.77 KDM4E (0.49) MEN1KMT2ARAB9AMAPTL3MBTL1
SCHEMBL873598 0.77 LMNA (0.55) MEN1KMT2AF2RL1NPC1RAB9A
SCHEMBL5445458 0.77 KDM4E (0.49) MEN1KMT2ARAB9AMAPTL3MBTL1
SCHEMBL4145981 0.76 TDP1 (0.49) MEN1KMT2ACAPN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234951-A Anti-ulcer agent comprising chalcone derivative TSUMURA JUNTENDO, INC. (JP) 1993-08-10 — — US disclosed
US-5106871-A Reduced side effects TSUMURA & CO. (JP) 1992-04-21 — — US disclosed
EP-0292576-A1 ANTI-ULCEROUS AGENT CONTAINING CHALCONE DERIVATIVE AS EFFECTIVE INGREDIENT AND NOVEL CHALCONE DERIVATIVES TSUMURA & CO. (JP) 1988-11-30 — — EP disclosed
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