SCHEMBL9449449

SCHEMBL9449449

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.62
FFAR1 O14842 2/20 0.55
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
MGAM O43451 6/20 0.50
GAA P10253 6/20 0.50
SI P14410 6/20 0.50
MGAM2 Q2M2H8 6/20 0.50
KDM4E B2RXH2 3/20 0.50
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
NOD2 Q9HC29 1/20 0.47

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
SCHEMBL840122 0.86 GPR84 (0.59) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL21870764 0.86 GPR84 (0.59) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL9594578 0.83 GPR84 (0.56) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL148211 0.82 MAPT (0.68) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL839703 0.80 GPR84 (0.52) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL7820062 0.80 GPR84 (0.56) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL24123052 0.80 GPR84 (0.67) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL4001470 0.79 GPR84 (0.51) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL15229686 0.78 GPR84 (0.60) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL20551986 0.78 GPR84 (0.61) GPR84FFAR1MAPTMEN1KMT2A

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
US-5229413-A Nervous system disorders G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5137910-A Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders C.D. SEARLE & CO. (US) 1992-08-11 US disclosed