SCHEMBL9027006

SCHEMBL9027006

COc1c(C(=O)O)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RXRA P19793 1/20 0.35
PPARG P37231 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SRD5A1 P18405 2/20 0.34
SRD5A2 P31213 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
MGMT P16455 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
SMPD1 P17405 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL9026948 0.93 LMNA (0.39) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL27258448 0.89 LMNA (0.39) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026358 0.87 NR4A2 (0.39) ALDH1A1LMNAHPGDMAPK1HTT
SCHEMBL9026029 0.87 ALDH1A1 (0.40) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026401 0.82 SMN1; SMN2 (0.39) LMNAHPGDL3MBTL1MMP2NR4A2
SCHEMBL9026581 0.82 ALDH1A1 (0.37) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026486 0.81 ALDH1A1 (0.36) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026201 0.80 LMNA (0.38) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9026857 0.79 MAPK1 (0.37) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL9470458 0.78 ALDH1A1 (0.36) ALDH1A1LMNAHPGDTSHRMAPK1

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 5 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
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 CN disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 CN 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