SCHEMBL8767991

SCHEMBL8767991

CC(C(=O)Nc1ccccc1C(CCC(=O)C(=O)O)C(=O)O)c1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA4 P22748 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ GPR88 Q9GZN0 6/20 0.41
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 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
SCHEMBL8768549 0.86 HDAC3 (0.41) LMNAL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8420680 0.79 NR1H4 (0.39) LMNAL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8767168 0.75 L3MBTL1 (0.50) LMNAL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8422576 0.73 AKR1C2 (0.48) LMNAL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8420287 0.72 HTT (0.53) LMNAKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL8422536 0.72 HTT (0.46) LMNAL3MBTL1SMN1; SMN2CA12CA1
SCHEMBL8418609 0.71 CA12 (0.43) LMNAL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8422462 0.71 L3MBTL1 (0.45) LMNAL3MBTL1SMN1; SMN2CA12CA1
SCHEMBL8418613 0.71 ALDH1A1 (0.40) LMNAL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8420641 0.70 L3MBTL1 (0.47) LMNAL3MBTL1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 — — EP disclosed
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