SCHEMBL8420641

SCHEMBL8420641

CC(C(=O)Nc1ccc(C(=O)O)cc1OCC(=O)O)c1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ FFAR1 O14842 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PLA2G4B P0C869 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL8422536 0.91 HTT (0.46) L3MBTL1LMNAPOLBCASP6CYSLTR2
SCHEMBL8422462 0.90 L3MBTL1 (0.45) L3MBTL1LMNAPOLBCASP6CYSLTR2
SCHEMBL8420268 0.87 MEN1 (0.46) L3MBTL1LMNAPOLBCA12CA1
SCHEMBL8422576 0.86 AKR1C2 (0.48) L3MBTL1LMNACA12CA1CA2
SCHEMBL8418609 0.85 CA12 (0.43) L3MBTL1LMNACA12CA1CA2
SCHEMBL8767956 0.85 L3MBTL1 (0.43) L3MBTL1LMNAPOLBCASP6CA12
SCHEMBL8422412 0.83 MEN1 (0.48) L3MBTL1LMNAPOLBCA12CA1
SCHEMBL8418915 0.81 HTT (0.41) L3MBTL1LMNACYSLTR2CA12CA1
SCHEMBL8419005 0.81 CYSLTR2 (0.45) L3MBTL1LMNACYSLTR2CA12CA1
SCHEMBL8420287 0.80 HTT (0.53) LMNACA12CA1CA2CA4

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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