SCHEMBL9026358

SCHEMBL9026358

COc1c(C(=O)O)nc(OCc2ccccc2Cl)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.39
MAOB P27338 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
FABP4 P15090 3/20 0.37
FABP5 Q01469 3/20 0.37
MAPT P10636 3/20 0.36
ALOX5 P09917 1/20 0.36
ALOX5AP P20292 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.36
SCN9A Q15858 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL9025794 0.89 MAPT (0.38) MAOBHDAC8RAB9ANPC1MAPT
SCHEMBL9026359 0.87 HDAC8 (0.35) NR4A2MAOBHDAC8RAB9ANPC1
SCHEMBL9027006 0.87 ALDH1A1 (0.38) NR4A2MAOBHDAC8ALDH1A1LMNA
SCHEMBL9026964 0.82 CSF1R (0.34) MAOBHDAC8RAB9ANPC1FABP4
SCHEMBL9026387 0.80 SCN9A (0.36) MAOBHDAC8RAB9AFABP4FABP5
SCHEMBL9026948 0.80 LMNA (0.39) HDAC8RAB9ANPC1TDP1ALDH1A1
SCHEMBL27310947 0.79 NR4A2 (0.43) NR4A2MAOBHDAC8RAB9ANPC1
SCHEMBL27258448 0.77 LMNA (0.39) MAOBRAB9ANPC1MAPTALDH1A1
SCHEMBL9026581 0.70 ALDH1A1 (0.37) MAOBALDH1A1LMNAHPGDMAPK1
SCHEMBL9026233 0.70 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed