SCHEMBL2554497

SCHEMBL2554497

C[C@@H](COCc1ccccc1)O[C]=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CA1 P00915 4/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
TACR1 P25103 3/20 0.44
KMT2A Q03164 1/20 0.43
SLC1A1 P43005 1/20 0.42
MAPK1 P28482 1/20 0.40
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
HTT P42858 1/20 0.39
MME P08473 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2555087 1.00 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL3678018 0.80 TAAR1 (0.48) TSHRKMT2A
SCHEMBL4621117 0.80 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL28232944 0.80 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL5471268 0.78 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL16732414 0.78 KMT2A (0.55) TSHRCA1CA2CA7CA9
SCHEMBL21540243 0.78 KMT2A (0.55) TSHRCA1CA2CA7CA9
SCHEMBL3421333 0.78 KMT2A (0.55) TSHRCA1CA2CA7CA9
SCHEMBL96746 0.78 TSHR (0.45) TSHRCA1CA2CA7CA9
SCHEMBL11590573 0.77 TSHR (0.48) TSHRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556056-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2013-02-13 EP disclosed
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed