SCHEMBL18201611

SCHEMBL18201611

CC[C@@H](CC(=O)O)c1ccc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSA P10619 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL29882779 0.86 L3MBTL1 (0.44) L3MBTL1ATMCACNA1GCACNA2D1CACNA1B
SCHEMBL638662 0.85 GABBR2 (0.49) L3MBTL1ATMCACNA1GCACNA2D1CACNA1B
SCHEMBL10745484 0.84 GABBR2 (0.44) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL5670574 0.79 ATM (0.46) L3MBTL1ATMCACNA1GCACNA2D1CACNA1B
SCHEMBL3382822 0.79 MEN1 (0.44) L3MBTL1ATMCACNA1GCACNA2D1CACNA1B
SCHEMBL14081313 0.79 CTSA (0.45) CTSA
SCHEMBL8532074 0.79 TSHR (0.44) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL27644063 0.78 SLC1A3 (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5610781 0.78 TDP1 (0.39) TAS1R3TAS1R1TAS1R2CACNA1GCACNA2D1
SCHEMBL4987895 0.76 GRM1 (0.36) TAS1R3TAS1R1TAS1R2CACNA1GCACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928886-B1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2016-11-02 EP disclosed