SCHEMBL4082631

SCHEMBL4082631

CC1c2cccc(O)c2C(O)=C2C(=O)C3(O)C(=O)/C(=C(\N)O)C(=O)C(N(C)C)C3C(O)C21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.73
USP2 O75604 6/20 0.73
HSD17B10 Q99714 6/20 0.73
HIF1A Q16665 3/20 0.73
TSHR P16473 1/20 0.73
KDM4E B2RXH2 9/20 0.72
L3MBTL1 Q9Y468 7/20 0.72
MMP2 P08253 1/20 0.72
MMP3 P08254 1/20 0.72
MMP7 P09237 1/20 0.72
MMP8 P22894 1/20 0.72
ADORA1 P30542 1/20 0.72
ADRA1A P35348 1/20 0.72
MMP13 P45452 1/20 0.72
RECQL P46063 7/20 0.67
PLA2G1B P04054 1/20 0.67
ATG4B Q9Y4P1 1/20 0.67
HPGD P15428 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48

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
SCHEMBL23005369 1.00 TDP1 (0.73) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL21014939 1.00 TDP1 (0.73) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL40930 1.00 TDP1 (0.73) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL4082642 1.00 TDP1 (0.73) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL1176275 1.00 TDP1 (0.73) TDP1USP2HSD17B10HIF1ATSHR
Water SCHEMBL1649970 0.99 MMP2 (0.74) TDP1USP2HSD17B10HIF1ATSHR
Water SCHEMBL537059 0.97 MMP2 (0.72) TDP1USP2HSD17B10HIF1ATSHR
Alcohol SCHEMBL14973542 0.94 KDM4E (0.72) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL18610140 0.92 TDP1 (0.65) TDP1USP2HSD17B10HIF1ATSHR
SCHEMBL21793722 0.85 TDP1 (1.00) TDP1USP2HSD17B10HIF1ATSHR

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-2181330-B2 COMPOSITIONS AND MEANS FOR DIAGNOSING MICROBIAL INFECTIONS STATENS SERUMINSTITUT (DK) 2016-08-31 EP disclosed
US-20090035229-A1 PHARMACEUTICAL COMPOSITION FOR IMPROVING ORAL HYGIENE AND METHODS THEREOF EIREW GARY H 2009-02-05 US disclosed