SCHEMBL11313635

SCHEMBL11313635

CCCCCC1C(C(=O)OC)=C(C)NC2=C1C(=O)CN(C)C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 9/20 0.46
GAA P10253 3/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34

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
SCHEMBL11033504 0.84 FFAR3 (0.39) FFAR3GAAALDH1A1HPGDKDM4E
SCHEMBL11031879 0.82 FFAR3 (0.47) FFAR3GAAALDH1A1HPGDKDM4E
SCHEMBL11032599 0.81 FFAR3 (0.47) FFAR3ALDH1A1HPGDKDM4ELMNA
SCHEMBL7148358 0.76 ALDH1A1 (0.58) GAAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11256668 0.75 ALDH1A1 (0.57) GAAALDH1A1HPGDKDM4ELMNA
SCHEMBL7107070 0.72 LMNA (0.69) GAAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5816251 0.71 KDM4E (0.57) FFAR3GAAALDH1A1HPGDKDM4E
SCHEMBL7845674 0.68 FFAR3 (0.64) FFAR3ALDH1A1HPGDKDM4ETP53
SCHEMBL9831538 0.68 LMNA (0.71) GAAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11292115 0.66 TSHR (0.74) FFAR3GAAALDH1A1HPGDKDM4E

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-0059291-A1 Antihypertensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-08 EP claimed