SCHEMBL935459

SCHEMBL935459

Cc1cccc2[nH]cc(SC(C(=O)O)c3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GPR84 Q9NQS5 1/20 0.41
PKM P14618 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.36
AURKB Q96GD4 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL936239 0.83 SMN1; SMN2 (0.45) ALDH1A1GPR84ITGB2ICAM1ITGAL
SCHEMBL936872 0.82 LMNA (0.45) ALDH1A1GPR84PKMITGB2ICAM1
SCHEMBL936096 0.81 GPR84 (0.41) ALDH1A1GPR84ITGB2ICAM1ITGAL
SCHEMBL935586 0.80 POLB (0.51) ALDH1A1GPR84PPARGPPARAITGB2
SCHEMBL957431 0.78 GPR84 (0.41) ALDH1A1GPR84ITGB2ICAM1ITGAL
SCHEMBL955533 0.78 GPR84 (0.41) ALDH1A1GPR84ITGB2ICAM1ITGAL
SCHEMBL935339 0.78 GPR84 (0.41) ALDH1A1GPR84ITGB2ICAM1ITGAL
SCHEMBL936027 0.78 GPR84 (0.42) GPR84PPARGPPARAITGB2ICAM1
SCHEMBL28538348 0.78 ALDH1A1 (0.48) ALDH1A1PKMPPARGPPARALMNA
SCHEMBL29283522 0.78 ALDH1A1 (0.48) ALDH1A1PKMPPARGPPARALMNA

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-2011010748-A1 INDOLE DERIVATIVE AND SALTINESS-STRENGTHENING AGENT CONTAINING THE DERIVATIVE 味の素株式会社 (JP) 2011-01-27 WO disclosed