SCHEMBL11645656

SCHEMBL11645656

COc1ccc(OCCC(N)C(=O)Nc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
S1PR1 P21453 2/20 0.57
S1PR3 Q99500 2/20 0.57
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
LTA4H P09960 6/20 0.56
KLK7 P49862 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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) LMNAS1PR1S1PR3ALDH1A1SMN1; SMN2
SCHEMBL11647275 0.90 S1PR1 (0.58) LMNATP53S1PR1S1PR3SMN1; SMN2
SCHEMBL11643760 0.90 S1PR1 (0.57) LMNATP53S1PR1S1PR3ALDH1A1
SCHEMBL11645467 0.89 MAPT (0.60) S1PR1S1PR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL11641623 0.89 TSHR (0.52) LMNAS1PR1S1PR3ALDH1A1SMN1; SMN2
SCHEMBL11644742 0.88 S1PR1 (0.59) LMNAS1PR1S1PR3ALDH1A1MEN1
SCHEMBL11647845 0.87 S1PR1 (0.58) LMNAS1PR1S1PR3ALDH1A1SMN1; SMN2
SCHEMBL11644156 0.87 SMN1; SMN2 (0.56) S1PR1S1PR3ALDH1A1SMN1; SMN2NPC1
SCHEMBL11691654 0.87 ALDH1A1 (0.61) S1PR1S1PR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL11643286 0.87 LTA4H (0.56) S1PR1S1PR3ALDH1A1SMN1; SMN2CYP1A2

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