SCHEMBL26681667

SCHEMBL26681667

C=CCOC(=O)c1ccc(N2CCN(Cc3cc(OC(C)C)cc(-c4cccc(O)c4)c3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ BID P55957 1/20 0.36
▸ BCL2A1 Q16548 1/20 0.36

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
SCHEMBL26683005 0.90 MEN1 (0.44) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL26680397 0.89 MEN1 (0.43) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL26680663 0.89 MEN1 (0.42) KMT2AMEN1ITGB3ITGA2BMAPT
SCHEMBL26682099 0.87 RXRA (0.49) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL26681332 0.84 LMNA (0.47) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL26682643 0.83 OPRD1 (0.44) ALDH1A1ITGB3ITGA2BMAPTLMNA
SCHEMBL30687630 0.82 TP53 (0.44) KMT2AMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL26682632 0.82 BCL2 (0.47) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL26681019 0.82 TP53 (0.44) KMT2AMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL26681386 0.81 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTLMNA

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-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
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