SCHEMBL8805213

SCHEMBL8805213

CCOC(C#N)Cc1ccc2oc(Cc3ccccc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL8804587 0.80 PPARG (0.51) LMNARAB9ANPC1GAA
SCHEMBL11638464 0.75 FAAH (0.48) FAAHLMNASMN1; SMN2TP53RAB9A
SCHEMBL8808210 0.74 PPARA (0.60)
SCHEMBL11338435 0.73 SMN1; SMN2 (0.62) FAAHLMNASMN1; SMN2TP53RAB9A
SCHEMBL5766871 0.72 LMNA (0.61) FAAHLMNASMN1; SMN2TP53RAB9A
SCHEMBL5765356 0.72 SMN1; SMN2 (0.61) FAAHLMNASMN1; SMN2TP53RAB9A
SCHEMBL5767249 0.69 LMNA (0.50) FAAHLMNASMN1; SMN2TP53RAB9A
SCHEMBL11638476 0.69 GAA (0.71) FAAHLMNASMN1; SMN2TP53RAB9A
SCHEMBL24476911 0.69 SMN1; SMN2 (0.49) FAAHLMNASMN1; SMN2TP53RAB9A
SCHEMBL11636604 0.68 RAB9A (0.51) FAAHLMNATP53RAB9ANPC1

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
EP-0533781-B1 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVES AND ANALOGS AS HYPOGLYCEMIC AGENTS PFIZER (US) 1997-02-26 EP disclosed
US-5438074-A 3-aryl-2-hydroxypropionic acid derivatives and analogs as hypoglycemic agents PFIZER INC. (US) 1995-08-01 US disclosed
US-5306726-A 3-aryl-2-hydroxypropionic acid derivatives and analogs as hypoglycemic agents PFIZER INC. (US) 1994-04-26 US disclosed
US-5232945-A 3-aryl-2-hydroxypropionic acid derivatives and analogs as antihypertensives PFIZER INC. (US) 1993-08-03 US disclosed
EP-0533781-A1 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVES AND ANALOGS AS HYPOGLYCEMIC AGENTS. PFIZER (US) 1993-03-31 EP disclosed
WO-1991019702-A1 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVES AND ANALOGS AS HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1991-12-26 WO disclosed