SCHEMBL8909746

SCHEMBL8909746

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SSTR3 P32745 1/20 0.47
FKBP4 Q02790 1/20 0.46
MMP1 P03956 1/20 0.45
FCER2 P06734 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
PSMB5 P28074 1/20 0.43
FPR1 P21462 4/20 0.41
FPR2 P25090 4/20 0.41
USP30 Q70CQ3 1/20 0.41
SDCBP O00560 1/20 0.41
SDC2 P34741 1/20 0.41

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
SCHEMBL8910738 0.89 MEN1 (0.45) MEN1KMT2ASSTR3FKBP4MMP1
SCHEMBL3218655 0.87 KMT2A (0.68) MEN1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL6243605 0.84 SSTR3 (0.56) MEN1KMT2ASSTR3FKBP4MMP1
SCHEMBL5079966 0.83 KMT2A (0.66) MEN1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL14050095 0.81 FKBP4 (0.60) MEN1KMT2ASSTR3FKBP4MMP1
SCHEMBL7355900 0.80 TACR1 (0.51) FKBP4
SCHEMBL14050124 0.80 FKBP4 (0.57) MEN1KMT2ASSTR3FKBP4MMP1
SCHEMBL29740041 0.80 SSTR3 (0.59) MEN1KMT2ASSTR3MMP1FCER2
SCHEMBL10440798 0.79 SSTR3 (0.56) MEN1KMT2ASSTR3MMP1FCER2
SCHEMBL5943202 0.78 SSTR3 (0.45) MEN1KMT2ASSTR3FKBP4MMP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652136-A ENZYME MUTANT WHERE CATALYTIC FUNCTIONALITY HAS BEEN MODIFIED OR REPLACED, MUTANT WILL HAVE PREFERENCE FOR SUBSTRATES SUPPLYING THE MODIFIED OR REPLACED CATALYTIC FUNCTIONAL GROUP GENENCOR INTERNATIONAL, INC. (US) 1997-07-29 US disclosed
US-5472855-A Genetic engineering forming an enzyme mutants GENENTECH, INC. (US) 1995-12-05 US disclosed
US-5371008-A Catalytically active enzyme-substrate complex comprising a subtilisin-related protease variant in contact with first substrate containing a first selected region GENENCOR INTERNATIONAL, INC. (US) 1994-12-06 US disclosed
US-5371190-A Enzyme assisted catalysis GENENCOR INTERNATIONAL, INC. (US) 1994-12-06 US disclosed