SCHEMBL434055

SCHEMBL434055

CCCC(=O)Oc1c(O)cccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
AKR1B1 P15121 3/20 0.40
IAPP P10997 4/20 0.40
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
NAMPT P43490 1/20 0.37
NLRP3 Q96P20 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
ELANE P08246 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL434794 0.88 TSHR (0.38) TSHRAKR1B1IAPPALDH1A1HPGD
SCHEMBL28305789 0.82 TSHR (0.55) TSHRAKR1B1ALDH1A1HPGDNLRP3
SCHEMBL27459370 0.78 SMN1; SMN2 (0.49) AKR1B1IAPPALDH1A1HPGDBCL9
SCHEMBL27548181 0.77 TSHR (0.50) TSHRAKR1B1ALDH1A1NLRP3LDHA
SCHEMBL11048420 0.77 ALDH1A1 (0.37) TSHRIAPPALDH1A1HPGDNAMPT
SCHEMBL28338340 0.77 ALDH1A1 (0.52) TSHRALDH1A1HPGDNLRP3GAA
SCHEMBL28973299 0.77 IAPP (0.43) TSHRIAPPALDH1A1BCL9CTNNB1
SCHEMBL28305792 0.76 TSHR (0.49) TSHRAKR1B1ALDH1A1HPGDLDHA
SCHEMBL19335394 0.76 NAMPT (0.41) AKR1B1ALDH1A1NAMPTELANECA12
SCHEMBL8487851 0.76 KDM4E (0.50) IAPPALDH1A1HPGDBCL9CTNNB1

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-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed