SCHEMBL8419001

SCHEMBL8419001

O=C(Cc1ccccc1OCCCCOc1ccccc1)Nc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ GAA P10253 2/20 0.55
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ PLK1 P53350 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42

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
SCHEMBL8422575 0.89 SMN1; SMN2 (0.50) KDM4EALDH1A1HSD17B10GAAMEN1
SCHEMBL8420658 0.88 SMN1; SMN2 (0.52) KDM4EALDH1A1HSD17B10GAAMEN1
SCHEMBL8418953 0.86 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10GAAMEN1
SCHEMBL8768524 0.85 ALDH1A1 (0.59) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL8420219 0.83 SMN1; SMN2 (0.58) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL8420661 0.78 HTT (0.55) SMN1; SMN2HTTPLK1POLBHPGD
SCHEMBL8422577 0.77 HTT (0.54) KDM4EGAASMN1; SMN2HTTPOLB
SCHEMBL8422576 0.74 AKR1C2 (0.48) KDM4EALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL8420285 0.72 SMN1; SMN2 (0.62) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL8422566 0.72 NR1H4 (0.59) SMN1; SMN2HTT

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-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 — — US disclosed
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