SCHEMBL2783032

SCHEMBL2783032

CCN(CCCc1ccc(C(=O)NC(C)(C)C(=O)O)cc1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 3/20 0.47
▸ TRPV1 Q8NER1 3/20 0.40
▸ ESRRG P62508 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL2780994 0.91 HRH3 (0.40) CXCR2TRPV1ESRRGL3MBTL1HDAC6
SCHEMBL2781727 0.85 RARB (0.45) L3MBTL1KMT2ASIGMAR1MAPTKDM4E
SCHEMBL2784683 0.80 FFAR1 (0.47) L3MBTL1HDAC1HDAC6HDAC8KMT2A
SCHEMBL2781840 0.80 TDP1 (0.41) HDAC1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2779102 0.76 MRGPRX4 (0.47) L3MBTL1KMT2ASIGMAR1MAPTKDM4E
SCHEMBL2780743 0.76 TRPV1 (0.37) TRPV1
SCHEMBL2136185 0.76 EPHX2 (0.55) CXCR2HDAC1HDAC6KMT2ASMN1; SMN2
SCHEMBL2136179 0.76 EPHX2 (0.55) CXCR2HDAC1HDAC6KMT2ASMN1; SMN2
SCHEMBL2781686 0.74 CYP1A2 (0.48) L3MBTL1HDAC1HDAC6HDAC8KMT2A
SCHEMBL2780803 0.74 KAT8 (0.51) L3MBTL1KMT2ASMN1; SMN2KDM4EMEN1

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
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO claimed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO disclosed
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