SCHEMBL28348608

SCHEMBL28348608

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP4 Q02790 1/20 0.47
MMP3 P08254 10/20 0.43
MMP1 P03956 3/20 0.43
TACR1 P25103 1/20 0.43
TRPV1 Q8NER1 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
MMP2 P08253 3/20 0.39
KMT2A Q03164 1/20 0.39
TSG101 Q99816 1/20 0.38
NTSR2 O95665 1/20 0.38
NTSR1 P30989 1/20 0.38
SORT1 Q99523 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
SCHEMBL28348611 1.00 FKBP4 (0.47) FKBP4MMP3MMP1TACR1TRPV1
SCHEMBL14050092 0.89 FKBP4 (0.57) FKBP4MMP3MMP1TACR1TRPV1
Dimethyl Sulfoxide SCHEMBL15323267 0.88 TACR1 (0.43) FKBP4MMP3MMP1TACR1TRPV1
SCHEMBL5501048 0.86 TACR1 (0.47) FKBP4MMP3MMP1TACR1TRPV1
SCHEMBL522116 0.83 TACR1 (0.44) FKBP4MMP3MMP1TACR1TRPV1
SCHEMBL1087550 0.83 TACR1 (0.43) FKBP4MMP3MMP1TACR1TRPV1
SCHEMBL3277774 0.82 FKBP4 (0.57) FKBP4TACR1KMT2A
SCHEMBL7746384 0.81 KMT2A (0.58) FKBP4TACR1KMT2A
SCHEMBL7277525 0.81 TACR1 (0.43) FKBP4TACR1TRPV1MMP2KMT2A
SCHEMBL11453560 0.80 DPP4 (0.47) TACR1TRPV1MMP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922886-B Liquid detergent composition for clothes 花王株式会社 2020-12-25 CN disclosed
CN-110713866-A Liquid detergent composition for clothing 花王株式会社 2020-01-21 CN disclosed