SCHEMBL8320338

SCHEMBL8320338

CCOC(=O)c1[nH]c2c(C)ccc(C)c2c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 6/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8324480 0.90 NR4A2 (0.41) RAB9ANPC1LMNAALDH1A1HTT
SCHEMBL8320986 0.89 MAPT (0.46) RAB9ANPC1MAPTLMNAHPGD
SCHEMBL8322152 0.84 LMNA (0.44) RAB9ANPC1MAPTLMNAHPGD
SCHEMBL8323736 0.81 NPSR1 (0.41) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL8322193 0.78 CYP1A2 (0.37) MAPTLMNAALDH1A1HTTCYP1A2
SCHEMBL8320679 0.78 LMNA (0.42) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL8318840 0.75 CYP3A4 (0.35) RAB9ANPC1MAPTLMNAHPGD
SCHEMBL8318842 0.75 CYP3A4 (0.35) MAPTLMNAALDH1A1HTTCYP1A2
SCHEMBL8326166 0.75 ALDH1A1 (0.53) RAB9ANPC1MAPTLMNAHPGD
SCHEMBL8322185 0.74 MAPT (0.49) RAB9ANPC1MAPTLMNAHPGD

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-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed