SCHEMBL9026937

SCHEMBL9026937

CC(C)CC(=NOCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.43
CA1 P00915 5/20 0.43
ALDH1A1 P00352 4/20 0.42
CTBP2 P56545 1/20 0.41
CA9 Q16790 5/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
CA12 O43570 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL953786 0.82 CA2 (0.46) CA2CA1ALDH1A1CTBP2CA9
SCHEMBL953785 0.82 CA2 (0.46) CA2CA1ALDH1A1CTBP2CA9
SCHEMBL11110696 0.80 CTBP2 (0.59) CA2CA1ALDH1A1CTBP2CA9
SCHEMBL11110698 0.80 CTBP2 (0.59) CA2CA1ALDH1A1CTBP2CA9
SCHEMBL9027512 0.79 MAOB (0.38) CA2CA1CA9PPARGPPARA
SCHEMBL23780246 0.79 CA2 (0.46) CA2CA1ALDH1A1CTBP2CA9
SCHEMBL28759575 0.79 MAPT (0.46) ALDH1A1PPARGPPARALMNAMAPT
SCHEMBL20446972 0.79 CA2 (0.46) CA2CA1ALDH1A1CTBP2CA9
SCHEMBL19053351 0.79 CA2 (0.46) CA2CA1ALDH1A1CTBP2CA9
Hydrochloric Acid SCHEMBL7118313 0.76 PPARG (0.44) CA2CA1ALDH1A1PPARGPPARA

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