SCHEMBL8420287

SCHEMBL8420287

CC(C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1)c1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NR1H4 Q96RI1 9/20 0.51
▸ ALDH1A1 P00352 4/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL8422576 0.84 AKR1C2 (0.48) HTTSMN1; SMN2NR1H4ALDH1A1CA12
SCHEMBL8418609 0.81 CA12 (0.43) HTTSMN1; SMN2NR1H4ALDH1A1CA12
SCHEMBL8420641 0.80 L3MBTL1 (0.47) HTTSMN1; SMN2NR1H4ALDH1A1CA12
SCHEMBL8422407 0.80 ALDH1A1 (0.63) HTTSMN1; SMN2NR1H4ALDH1A1MEN1
SCHEMBL8422536 0.79 HTT (0.46) HTTSMN1; SMN2CA12CA1CA2
SCHEMBL8422462 0.79 L3MBTL1 (0.45) HTTSMN1; SMN2CA12CA1CA2
SCHEMBL8419005 0.77 CYSLTR2 (0.45) HTTSMN1; SMN2ALDH1A1CA12CA1
SCHEMBL8767956 0.77 L3MBTL1 (0.43) HTTSMN1; SMN2NR1H4CA12CA1
SCHEMBL8418915 0.77 HTT (0.41) HTTSMN1; SMN2NR1H4ALDH1A1CA12
SCHEMBL8420680 0.75 NR1H4 (0.39) HTTSMN1; SMN2NR1H4ALDH1A1CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 — — US disclosed
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 — — EP disclosed
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