SCHEMBL27119645

SCHEMBL27119645

C=CC(=O)OCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C[n+]4ccc(N(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 9/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ THRB P10828 1/20 0.38
▸ KDM4A O75164 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37

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
SCHEMBL12085129 0.88 CHKA (0.54) CHKAALDH1A1SMN1; SMN2NPC1ATM
SCHEMBL24597567 0.84 CHKA (0.54) CHKAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL22924917 0.84 CHKA (0.54) CHKAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13475880 0.84 CHKA (0.54) CHKAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10189971 0.82 CHKA (0.54) CHKAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL13475993 0.82 CHKA (0.54) CHKAALDH1A1SMN1; SMN2KDM4EATM
SCHEMBL27119654 0.82 CHKA (0.54) CHKAALDH1A1SMN1; SMN2KDM4EATM
SCHEMBL12242628 0.82 THRB (0.50) ALDH1A1KDM4EGAATSHRHSD17B10
SCHEMBL24597615 0.81 CHKA (0.53) CHKAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL2610369 0.81 CHKA (0.50) CHKAALDH1A1SMN1; SMN2MAPTATM

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
US-20240069257-A1 CHOLESTERIC LIQUID CRYSTAL LAYER, METHOD OF FORMING CHOLESTERIC LIQUID CRYSTAL LAYER, LAMINATE, LIGHT GUIDE ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2024-02-29 — — US disclosed
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