SCHEMBL8420681

SCHEMBL8420681

O=CCCC(C(=O)O)c1cc(C(=O)O)ccc1NC(=O)CCc1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.41
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ LTB4R Q15722 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
SCHEMBL8419007 0.90 HTT (0.45) HTTSMN1; SMN2POLBNR1H4ITGB3
SCHEMBL8418917 0.89 POLB (0.47) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8768556 0.88 ALDH1A1 (0.45) POLBLTA4H
SCHEMBL8420680 0.81 NR1H4 (0.39) HTTSMN1; SMN2POLBNR1H4
SCHEMBL8422577 0.79 HTT (0.54) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8768504 0.77 ALDH1A1 (0.46) HTTSMN1; SMN2POLBLTA4H
SCHEMBL8418610 0.77 HTT (0.51) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8420643 0.76 POLB (0.51) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8767951 0.76 HTT (0.53) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8422541 0.76 POLB (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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