SCHEMBL8420643

SCHEMBL8420643

O=C(O)COc1cc(C(=O)O)ccc1NC(=O)CCc1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NR1H4 Q96RI1 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ LTB4R Q15722 1/20 0.45
▸ FFAR1 O14842 3/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ PLA2G4B P0C869 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GAA P10253 2/20 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
SCHEMBL8767951 0.92 HTT (0.53) POLBHTTSMN1; SMN2NR1H4HPGD
SCHEMBL8768533 0.86 ALDH1A1 (0.51) POLBHTTSMN1; SMN2HPGDLTB4R
SCHEMBL8422577 0.85 HTT (0.54) POLBHTTSMN1; SMN2NR1H4LTB4R
SCHEMBL8418610 0.85 HTT (0.51) POLBHTTSMN1; SMN2NR1H4HPGD
SCHEMBL8767987 0.83 HTT (0.49) POLBHTTSMN1; SMN2NR1H4HPGD
SCHEMBL8422541 0.83 POLB (0.48) POLBHTTSMN1; SMN2NR1H4HPGD
SCHEMBL8767163 0.82 HTT (0.47) POLBHTTSMN1; SMN2NR1H4LTB4R
SCHEMBL8767170 0.82 HTT (0.47) POLBHTTSMN1; SMN2NR1H4LTB4R
SCHEMBL8422415 0.82 HPGD (0.48) POLBSMN1; SMN2HPGDFFAR1MEN1
SCHEMBL8422466 0.81 PTGES (0.50) POLBHTTSMN1; SMN2NR1H4HPGD

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
Send feedback