SCHEMBL30834727

SCHEMBL30834727

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nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.49
GSTK1 Q9Y2Q3 1/20 0.49
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACE P12821 5/20 0.38
MME P08473 6/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
ECE1 P42892 2/20 0.34
GLO1 Q04760 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
NPEPPS P55786 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31059852 0.86 ALDH1A1 (0.43) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL29566626 0.86 ALDH1A1 (0.46) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL31045830 0.85 ACE (0.54) MAPTPTGS2ACEMMEECE1
SCHEMBL1359251 0.85 PTGS1 (0.44) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL7594016 0.84 PTGS1 (0.64) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL7594008 0.84 PTGS1 (0.64) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL30788347 0.84 OPRM1 (0.41) PTGS1GSTK1ACEMME
SCHEMBL29500566 0.83 PTGS1 (0.48) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL31060247 0.82 ALDH1A1 (0.40) PTGS1GSTK1ALDH1A1MAPTLMNA
SCHEMBL29602486 0.82 ALDH1A1 (0.42) PTGS1GSTK1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240091375-A1 AN ANTIBODY FRAGMENT BASED ANTIMICROBIAL CONJUGATE SELECTIVELY TARGETING PSEUDOMONAS ABGENICS LIFESCIENCES PRIVATE LIMITED (IN) 2024-03-21 US disclosed