SCHEMBL8419007

SCHEMBL8419007

O=C(CCc1cccc(OCCCCOc2ccccc2)c1)Nc1ccc(C(=O)O)cc1C(CCS)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.42
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ LTB4R Q15722 1/20 0.39
▸ SENP1 Q9P0U3 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38

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
SCHEMBL8420681 0.90 HTT (0.44) HTTSMN1; SMN2POLBNR1H4ITGB3
SCHEMBL8418917 0.88 POLB (0.47) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8768504 0.87 ALDH1A1 (0.46) HTTSMN1; SMN2POLBLTA4HGAA
SCHEMBL8422577 0.81 HTT (0.54) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8418610 0.78 HTT (0.51) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8420643 0.78 POLB (0.51) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8767951 0.78 HTT (0.53) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8768556 0.77 ALDH1A1 (0.45) POLBLTA4HHPGD
SCHEMBL8422541 0.77 POLB (0.48) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8767987 0.77 HTT (0.49) HTTSMN1; SMN2POLBNR1H4LTB4R

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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