SCHEMBL17676103

SCHEMBL17676103

Cc1ccc(C(=O)c2ccc(CCCN(C)C(=O)OC(C)(C)C)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.33
▸ LSS P48449 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ F2 P00734 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL17666638 0.80 MEN1 (0.40) SMN1; SMN2LSSRAB9ANPC1
SCHEMBL17676104 0.75 LMNA (0.35) AAK1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL15264021 0.73 KCNH2 (0.42) LMNASMN1; SMN2PPARARAB9ANPC1
SCHEMBL19112386 0.73 PDK2 (0.47) ALDH1A1SMN1; SMN2PPARANPC1PDK2
SCHEMBL15067764 0.72 MAPT (0.42) LMNAALDH1A1MAPTSMN1; SMN2LSS
SCHEMBL15067149 0.72 RXFP1 (0.52) LMNAALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL30264506 0.71 LTB4R (0.46) MAPTSMN1; SMN2PPARARAB9ANPC1
SCHEMBL2847467 0.71 HCAR3 (0.48) AAK1MAPTHDAC1HDAC8HDAC6
SCHEMBL14679116 0.71 L3MBTL1 (0.53) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL22280529 0.70 HDAC2 (0.54) LMNAALDH1A1MAPTRAB9ANPC1

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
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 — — US disclosed
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