SCHEMBL2330404

SCHEMBL2330404

Nc1ccc(CCC(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.49
FFAR1 O14842 6/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PRNP P04156 1/20 0.44
RECQL P46063 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KEAP1 Q14145 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PTPRB P23467 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
SCHEMBL9169334 0.85 RPS6KB2 (0.51) RPS6KB2FFAR1LMNAALDH1A1PRNP
SCHEMBL27494353 0.79 HPGD (0.50) RPS6KB2LMNAALDH1A1RECQLPOLB
SCHEMBL16564107 0.78 HPGD (0.49) RPS6KB2FFAR1LMNAALDH1A1PRNP
SCHEMBL4632230 0.76 NPC1 (0.51) RPS6KB2FFAR1LMNAALDH1A1PRNP
SCHEMBL3515628 0.76 RPS6KB2 (0.45) RPS6KB2FFAR1LMNAALDH1A1PRNP
SCHEMBL4671353 0.76 RPS6KB2 (0.45) RPS6KB2FFAR1LMNAALDH1A1PRNP
SCHEMBL4388131 0.76 FFAR1 (0.60) RPS6KB2FFAR1LMNAALDH1A1PRNP
SCHEMBL18534148 0.74 RPS6KB2 (0.44) RPS6KB2FFAR1LMNAALDH1A1PRNP
SCHEMBL29599195 0.74 CA2 (0.49) RPS6KB2FFAR1LMNAALDH1A1PRNP
SCHEMBL9794742 0.73 RPS6KB2 (0.43) RPS6KB2FFAR1LMNAALDH1A1PRNP

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
WO-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed