SCHEMBL25257640

SCHEMBL25257640

COc1cccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c1OC

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.87
▸ RAB9A P51151 4/20 0.87
▸ MAPT P10636 3/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ KDM4E B2RXH2 1/20 0.69
▸ ALOX5 P09917 1/20 0.63
▸ TNFRSF1A P19438 3/20 0.61
▸ MAOB P27338 2/20 0.61
▸ KMT2A Q03164 3/20 0.60
▸ ATM Q13315 1/20 0.60
▸ RELA Q04206 4/20 0.59
▸ POLB P06746 2/20 0.59
▸ NTSR1 P30989 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59

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
SCHEMBL9717780 0.83 MEN1 (0.74) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL18099393 0.83 MEN1 (0.74) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL7662803 0.83 RAB9A (0.61) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL28263081 0.83 RELA (0.73) NPC1RAB9AALDH1A1LMNAALOX5
SCHEMBL25299890 0.81 MAPT (1.00) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL28263080 0.81 SNCA (0.71) NPC1RAB9AALDH1A1LMNAALOX5
SCHEMBL6357635 0.79 ALOX5 (0.78) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL31676388 0.79 ALOX5 (0.78) NPC1RAB9AALDH1A1LMNAALOX5
SCHEMBL6357636 0.79 ALOX5 (0.78) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL28549138 0.79 ABCG2 (0.71) NPC1RAB9AMAPTALDH1A1LMNA

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-2810198-B1 ANTI-INVASIVE COMPOUNDS UNIV GENT (BE) 2023-07-12 — — EP disclosed
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