SCHEMBL1087489

SCHEMBL1087489

NC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.50
▸ RCOR1 Q9UKL0 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CTRB1 P17538 1/20 0.49
▸ TSHR P16473 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PRCP P42785 1/20 0.47
▸ TACR1 P25103 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ FKBP4 Q02790 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5579737 0.86 TACR1 (0.43) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL18831935 0.85 KDM1A (0.51) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL18831932 0.85 KDM1A (0.51) KDM1ARCOR1KDM4ELMNAHSD17B10
SCHEMBL29859911 0.84 MALT1 (0.51) TACR1FKBP4
SCHEMBL30225406 0.82 AKT1 (0.45) TACR1CTSLCTSKFKBP4
SCHEMBL7586649 0.82 OPRM1 (0.47) TACR1FKBP4
SCHEMBL30561151 0.82 OPRM1 (0.47) TACR1FKBP4
SCHEMBL11464122 0.81 KDM4E (0.71) KDM1ARCOR1KDM4ELMNAHSD17B10
Acetic Acid SCHEMBL31076322 0.81 AKT1 (0.47) TACR1FKBP4
SCHEMBL5704652 0.80 FKBP4 (0.48) TACR1FKBP4MMP1MMP3SSTR3

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
US-8153413-B2 High alkaline protease and use thereof JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2012-04-10 — — US disclosed
US-20110045570-A1 NOVEL HIGH ALKALINE PROTEASE AND USE THEREOF JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECH. (JP) 2011-02-24 — — US disclosed
Send feedback