SCHEMBL11643286

SCHEMBL11643286

NC(CCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.56
S1PR1 P21453 2/20 0.54
S1PR3 Q99500 2/20 0.54
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
HDAC8 Q9BY41 1/20 0.51
KCNA5 P22460 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KLK7 P49862 1/20 0.46

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
SCHEMBL11639881 0.90 LTA4H (0.59) LTA4HS1PR1S1PR3PPARAHDAC8
SCHEMBL11643760 0.87 S1PR1 (0.57) LTA4HS1PR1S1PR3HDAC8CYP1A2
SCHEMBL11645656 0.87 LMNA (0.60) LTA4HS1PR1S1PR3HDAC8CYP1A2
SCHEMBL11691654 0.87 ALDH1A1 (0.61) LTA4HS1PR1S1PR3HDAC8CYP1A2
SCHEMBL11644805 0.86 KMT2A (0.53) LTA4HS1PR1S1PR3L3MBTL1
SCHEMBL11645160 0.86 LTA4H (0.50) LTA4HS1PR1S1PR3HDAC8ALDH1A1
SCHEMBL11644742 0.86 S1PR1 (0.59) LTA4HS1PR1S1PR3HDAC8CYP1A2
SCHEMBL11647275 0.85 S1PR1 (0.58) LTA4HS1PR1S1PR3HDAC8SMN1; SMN2
SCHEMBL11647845 0.85 S1PR1 (0.58) LTA4HS1PR1S1PR3HDAC8ALDH1A1
SCHEMBL11644604 0.85 LTA4H (0.54) LTA4HS1PR1S1PR3HDAC8KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088780-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4032655-A PHENYLGUANIDINES USEFUL AS ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed
US-4024176-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4021571-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-03 US disclosed
US-4005123-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3993682-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed