SCHEMBL9025972

SCHEMBL9025972

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.76
CTSS P25774 1/20 0.76
CTSK P43235 1/20 0.76
MAPT P10636 2/20 0.72
TP53 P04637 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.69
TACR1 P25103 2/20 0.67
ACE P12821 1/20 0.63
CCKBR P32239 5/20 0.61
REN P00797 1/20 0.61
CCKAR P32238 1/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL14300166 0.91 CTSL (0.76) CTSLCTSSCTSKMAPTTP53
SCHEMBL8233750 0.90 CTSL (0.74) CTSLCTSSCTSKMAPTTP53
SCHEMBL23656831 0.90 CTSL (0.74) CTSLCTSSCTSKMAPTTP53
SCHEMBL17807348 0.89 CTSL (0.80) CTSLCTSSCTSKMAPTTP53
SCHEMBL27871524 0.89 CTSL (0.76) CTSLCTSSCTSKMAPTTP53
SCHEMBL27902245 0.89 CTSL (0.76) CTSLCTSSCTSKMAPTTP53
SCHEMBL30976323 0.89 ACE (0.77) CTSLCTSSCTSKMAPTTP53
SCHEMBL850438 0.89 ACE (0.77) CTSLCTSSCTSKMAPTTP53
SCHEMBL1486167 0.89 ACE (0.77) CTSLCTSSCTSKMAPTTP53
SCHEMBL29367687 0.89 ACE (0.77) CTSLCTSSCTSKMAPTTP53

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