SCHEMBL7988710

SCHEMBL7988710

CCCCC(=O)OCOC(=O)NC(=N)c1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DGKA P23743 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MASP2 O00187 1/20 0.32
DUSP3 P51452 1/20 0.31
HSD17B3 P37058 1/20 0.31

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
SCHEMBL7992503 0.96 DGKA (0.39) L3MBTL1CYP3A4TSHRATMTDP1
SCHEMBL7988704 0.92 ALDH1A1 (0.32) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7993433 0.87 HTT (0.32) KMT2ARECQLSMN1; SMN2ALDH1A1
SCHEMBL7985659 0.84 RAB9A (0.45) L3MBTL1CYP3A4TSHRTDP1KDM4E
SCHEMBL7992455 0.83 NPC1 (0.44) L3MBTL1CYP3A4TSHRSMN1; SMN2MAPT
SCHEMBL7988757 0.82 TDP1 (0.33) TDP1ALDH1A1
SCHEMBL7985754 0.82 EPHX1 (0.46) L3MBTL1CYP3A4TSHRSMN1; SMN2MAPT
SCHEMBL7992134 0.81 SMN1; SMN2 (0.42) L3MBTL1TSHRTDP1MEN1KMT2A
SCHEMBL7988689 0.81 ALDH1A1 (0.39) GAAKDM4ESMN1; SMN2ALDH1A1MASP2
SCHEMBL7974801 0.80 SMN1; SMN2 (0.39) L3MBTL1GAACYP3A4TSHRKDM4E

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed