SCHEMBL7677634

SCHEMBL7677634

CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NN

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 2/20 0.56
HSPA5 P11021 1/20 0.56
HSPA9 P38646 1/20 0.56
SLC1A2 P43004 1/20 0.54
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CCR1 P32246 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7677630 1.00 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL7417071 0.85 KMT2A (0.64) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL19781296 0.85 KMT2A (0.64) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL14318468 0.83 HPGDS (0.61) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL15833197 0.83 HPGDS (0.61) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL19939555 0.83 HPGDS (0.61) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL1168553 0.82 SLC1A2 (0.66) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9462009 0.82 SLC1A2 (0.66) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL1168551 0.82 SLC1A2 (0.66) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9829100 0.82 KMT2A (0.61) ALDH1A1KMT2AMEN1LMNAHTT

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
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
EP-1161421-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE Pharmacia & Upjohn Aktiebolag (SE) 2001-12-12 EP disclosed
WO-2000053583-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2000-09-14 WO disclosed