SCHEMBL8418917

SCHEMBL8418917

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LTB4R Q15722 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PLA2G4B P0C869 1/20 0.41

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 0.89 HTT (0.44) POLBHTTSMN1; SMN2LTB4RNR1H4
SCHEMBL8419007 0.88 HTT (0.45) POLBHTTSMN1; SMN2LTB4RNR1H4
SCHEMBL8768556 0.81 ALDH1A1 (0.45) POLBHPGDRAB9AALDH1A1CYP1A2
SCHEMBL8422577 0.81 HTT (0.54) POLBHTTSMN1; SMN2LTB4RNR1H4
SCHEMBL8768504 0.81 ALDH1A1 (0.46) POLBHTTSMN1; SMN2HPGDRAB9A
SCHEMBL8422541 0.79 POLB (0.48) POLBHTTSMN1; SMN2LTB4RNR1H4
SCHEMBL8418610 0.79 HTT (0.51) POLBHTTSMN1; SMN2LTB4RNR1H4
SCHEMBL8420643 0.78 POLB (0.51) POLBHTTSMN1; SMN2LTB4RNR1H4
SCHEMBL8767951 0.78 HTT (0.53) POLBHTTSMN1; SMN2LTB4RNR1H4
SCHEMBL8767987 0.77 HTT (0.49) POLBHTTSMN1; SMN2LTB4RNR1H4

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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