SCHEMBL6554295

SCHEMBL6554295

O=C(O)CCC1NC(=O)C(CCO)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 2/20 0.35
CAMK2A Q9UQM7 1/20 0.34
ABL1 P00519 1/20 0.34
IDE P14735 1/20 0.34
PPARG P37231 1/20 0.34
RIN1 Q13671 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
TPSAB1 Q15661 1/20 0.34
KEAP1 Q14145 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EGFR P00533 1/20 0.33
FOLH1 Q04609 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL31707085 0.92 NPSR1 (0.50) NPSR1TDP1ABL1IDEPPARG
SCHEMBL1679984 0.92 NPSR1 (0.50) NPSR1TDP1ABL1IDEPPARG
SCHEMBL31408170 0.85 TPSAB1 (0.33) TPSAB1
SCHEMBL30300617 0.85 TPSAB1 (0.33) TPSAB1
SCHEMBL31181756 0.81 NPSR1 (0.46) NPSR1TDP1ABL1IDEPPARG
SCHEMBL15298508 0.78 CYP2D6 (0.45) NPSR1TDP1ABL1IDEPPARG
SCHEMBL29524632 0.78 NPSR1 (0.44) NPSR1TDP1ABL1IDEPPARG
SCHEMBL6554343 0.78 TSHR (0.40) TDP1PPARGNR2E3NCOR2TPSAB1
SCHEMBL3051591 0.78 NPSR1 (0.44) NPSR1TDP1ABL1IDEPPARG
SCHEMBL14141006 0.78 AKR1B1 (0.45) NPSR1TDP1PPARGMEN1KMT2A

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
EP-1389111-A1 COMPOSITION FOR INHIBITING HIV ACTIVITY EXTRACTED FROM i PAECILOMYCES SP. /i (TOCHU-KASO) J300 Republic of Korea (KR) 2004-02-18 EP disclosed
WO-2002080921-A1 COMPOSITION FOR INHIBITING HIV ACTIVITY EXTRACTED FROM PAECILOMYCES SP. (TOCHU-KASO) J300 REPUBLIC OF KOREA (KR) 2002-10-17 WO disclosed