SCHEMBL30376285

SCHEMBL30376285

O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)cc(O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 1.00
▸ ABCB1 P08183 4/20 1.00
▸ EGFR P00533 1/20 0.77
▸ RET P07949 1/20 0.77
▸ KDR P35968 1/20 0.77
▸ KDM5A P29375 1/20 0.77
▸ TERT O14746 1/20 0.74
▸ CREB1 P16220 1/20 0.74
▸ CYP1A1 P04798 2/20 0.72
▸ CYP1A2 P05177 2/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.71
▸ ABL1 P00519 1/20 0.71
▸ CYP3A4 P08684 2/20 0.70
▸ CYP2C9 P11712 2/20 0.70
▸ CYP2C19 P33261 2/20 0.70
▸ ABCG2 Q9UNQ0 2/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ KDM4E B2RXH2 2/20 0.69

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
SCHEMBL974548 1.00 MAPT (1.00) MAPTABCB1EGFRRETKDR
SCHEMBL5792042 0.95 MAPT (0.91) MAPTABCB1EGFRRETKDR
SCHEMBL14048682 0.88 MAPT (0.78) MAPTABCB1EGFRRETKDR
SCHEMBL10025658 0.87 MAPT (0.77) MAPTABCB1EGFRRETKDR
SCHEMBL7306849 0.85 MAPT (0.74) MAPTABCB1EGFRRETKDR
SCHEMBL8305040 0.85 MAPT (0.73) MAPTABCB1EGFRRETKDR
SCHEMBL24882669 0.85 EGFR (0.78) MAPTABCB1EGFRRETKDR
SCHEMBL28031602 0.85 EGFR (0.74) MAPTABCB1EGFRRETKDR
SCHEMBL971995 0.85 CREB1 (1.00) MAPTABCB1EGFRRETKDR
SCHEMBL19267888 0.84 L3MBTL1 (0.77) MAPTABCB1EGFRRETKDR

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-111836808-B Novel compound for preventing, alleviating or treating fibrosis or nonalcoholic steatohepatitis and composition comprising the same as active ingredient 欧斯特奥纽罗根有限公司 2023-04-28 — — CN disclosed
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