SCHEMBL9026610

SCHEMBL9026610

CC(C)CC(=NO)C(=O)NC(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PLA2G2A P14555 2/20 0.31
▸ PLA2G5 P39877 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ MME P08473 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NAALAD2 Q9Y3Q0 1/20 0.30

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
SCHEMBL9026605 1.00 FOLH1 (0.34) FOLH1ALDH1A1TDP1MMP1MMP2
SCHEMBL9164018 0.86 LMNA (0.32) ALDH1A1LMNAHPGD
SCHEMBL9164020 0.86 LMNA (0.32) ALDH1A1LMNAHPGD
SCHEMBL8862517 0.80 LMNA (0.33) ALDH1A1LMNACA2HPGD
SCHEMBL8862515 0.80 LMNA (0.33) ALDH1A1LMNACA2HPGD
SCHEMBL9163092 0.76 BIRC2 (0.33) —
SCHEMBL8862880 0.73 ALDH1A1 (0.42) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL8862881 0.73 ALDH1A1 (0.42) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL11328030 0.69 ALDH1A1 (0.48) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL11328029 0.69 ALDH1A1 (0.48) ALDH1A1TDP1MMP1MMP2MMP3

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
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