SCHEMBL6602792

SCHEMBL6602792

CCOC(=O)CCCCCNC(=O)Nc1ccc(-n2nc(OC)oc2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
LPL P06858 1/20 0.50
LIPC P11150 1/20 0.50
LIPE Q05469 1/20 0.50
LMNA P02545 1/20 0.45
ABHD16A O95870 1/20 0.44
FAAH O00519 3/20 0.43
MGLL Q99685 3/20 0.43
NAMPT P43490 1/20 0.40
EPHX2 P34913 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PTPN7 P35236 1/20 0.38
P2RY12 Q9H244 1/20 0.38
EPHX1 P07099 4/20 0.38
HTT P42858 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 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
SCHEMBL6601880 0.89 ALDH1A1 (0.54) ALDH1A1LMNAABHD16AFAAHMGLL
SCHEMBL6601946 0.80 LPL (0.57) ALDH1A1LPLLIPCLIPEABHD16A
SCHEMBL15750288 0.78 ALDH1A1 (0.73) ALDH1A1LMNAEPHX2TP53MAPT
SCHEMBL15741799 0.76 ALDH1A1 (0.78) ALDH1A1LMNANAMPTEPHX2EPHX1
SCHEMBL15741891 0.74 ALDH1A1 (0.74) ALDH1A1LMNANAMPTEPHX2MAPT
SCHEMBL15741800 0.74 ALDH1A1 (0.74) ALDH1A1LMNANAMPTEPHX2MAPT
SCHEMBL15741880 0.74 ALDH1A1 (0.74) ALDH1A1LMNAEPHX2EPHX1
SCHEMBL15741881 0.74 ALDH1A1 (0.97) ALDH1A1LMNANAMPTEPHX2EPHX1
SCHEMBL15750284 0.73 ALDH1A1 (0.68) ALDH1A1LMNANAMPTEPHX2EPHX1
SCHEMBL15750291 0.72 ALDH1A1 (0.71) ALDH1A1LMNANAMPTEPHX2MAPT

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-1263745-B1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA GMBH (DE) 2004-05-19 EP disclosed