SCHEMBL632012

SCHEMBL632012

O=C(O)CCOCCc1ccc2cscc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 5/20 0.37
PDE2A O00408 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3574628 0.82 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19FFAR4FFAR1
SCHEMBL48167 0.81 STING1 (0.37) CYP1A2PDE3BPDE3AP2RY12LMNA
SCHEMBL4589202 0.81 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19FFAR4FFAR1
SCHEMBL47994 0.77 SIGMAR1 (0.55) CYP1A2FFAR1SIGMAR1
SCHEMBL20912446 0.75 LTA4H (0.43) FFAR1L3MBTL1
SCHEMBL3589323 0.74 FFAR1 (0.51) FFAR4FFAR1SMN1; SMN2SIGMAR1
SCHEMBL3584403 0.72 KEAP1 (0.63) FFAR4FFAR1MAPTSLC6A3SMN1; SMN2
SCHEMBL13886150 0.71 L3MBTL1 (0.56) FFAR4FFAR1LMNAL3MBTL1
SCHEMBL3580780 0.71 FFAR1 (0.55) FFAR4FFAR1LMNAMAPTL3MBTL1
SCHEMBL19294596 0.71 FFAR1 (0.55) FFAR4FFAR1LMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210884-B1 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP claimed
EP-2210884-A2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid and 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol as well as salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-28 EP claimed
EP-1864978-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-12-12 EP claimed