SCHEMBL839703

SCHEMBL839703

CCC(c1c[nH]c2ccccc12)C(C(=O)O)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.52
FFAR1 O14842 2/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
PKM P14618 1/20 0.46
GAA P10253 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
APAF1 O14727 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9449449 0.80 GPR84 (0.62) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL840122 0.78 GPR84 (0.59) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL21870764 0.78 GPR84 (0.59) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL9594578 0.76 GPR84 (0.56) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL1893849 0.75 MEN1 (0.59) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL148211 0.74 MAPT (0.68) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL21535360 0.74 GPR84 (0.57) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL11372142 0.73 GPR84 (0.60) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL24123052 0.72 GPR84 (0.67) GPR84FFAR1MEN1KMT2AMAPT
SCHEMBL4001470 0.72 GPR84 (0.51) GPR84FFAR1MEN1KMT2AMAPT

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
US-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed