SCHEMBL10366180

SCHEMBL10366180

c1ccc2oc(CC3CCCCC3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
ADRA2A P08913 1/20 0.51
AGXT P21549 1/20 0.47
HTR2B P41595 2/20 0.44
HTR1A P08908 1/20 0.44
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
MAOB P27338 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PREP P48147 1/20 0.41
PPM1D O15297 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL31304968 1.00 LOXL2 (0.51) LOXL2ADRA2AAGXTHTR2BHTR1A
SCHEMBL7791747 0.91 LOXL2 (0.56) LOXL2ADRA2AAGXTHTR2BHTR1A
SCHEMBL2905181 0.80 ADRA2A (0.46) LOXL2ADRA2AAGXTHTR2BHTR1A
SCHEMBL2906664 0.79 VCP (0.45) LOXL2ADRA2AAGXTHTR2BHTR1A
SCHEMBL24227281 0.78 SIGMAR1 (0.58) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL7339656 0.78 AAK1 (0.33) ADRA2ARAB9AALDH1A1
SCHEMBL1257003 0.78 ADRA2A (0.57) LOXL2ADRA2AAGXTHTR2BHTR1A
SCHEMBL28045623 0.78 MAPT (0.49) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1311757 0.77 CA12 (0.44) LOXL2RAB9ANPC1
SCHEMBL7344747 0.76 AAK1 (0.34) LOXL2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207605-B1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1990-02-07 EP disclosed
US-4703052-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-10-27 US disclosed
EP-0207605-A1 Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-01-07 EP disclosed
WO-1986007056-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1986-12-04 WO disclosed