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SCHEMBL18699632

SCHEMBL18699632

O=C(CCCCCCCCCCSC(C(=O)NCCNC(=O)C1=CC=C(c2c3ccc(=O)cc-3oc3cc(O)ccc23)C(C(=O)O)C1)c1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTRA2 O43464 8/20 0.36
▸ HTRA1 Q92743 8/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PLEC Q15149 1/20 0.35
▸ FOLH1 Q04609 1/20 0.34
▸ ALB P02768 1/20 0.32
▸ HTR3A P46098 2/20 0.32
▸ SLC5A2 P31639 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
SCHEMBL14426890 0.85 HTRA2 (0.43) HTRA2HTRA1FOLH1ALB
SCHEMBL9906219 0.85 FOLH1 (0.49) HTRA2HTRA1USP2FOLH1ALB
SCHEMBL14426888 0.80 HTRA2 (0.41) HTRA2HTRA1MEN1USP2POLB
SCHEMBL9906147 0.80 FOLH1 (0.46) HTRA2HTRA1USP2FOLH1ALB
SCHEMBL9906146 0.79 CA9 (0.46) USP2HTR3A
SCHEMBL13780483 0.76 FOLH1 (0.44) HTRA2HTRA1FOLH1HTR3A
SCHEMBL9906265 0.76 FOLH1 (0.51) HTRA2HTRA1USP2FOLH1ALB
SCHEMBL14402386 0.76 FOLH1 (0.50) HTRA2HTRA1FOLH1ALBSLC5A2
SCHEMBL1688103 0.73 FOLH1 (0.55) HTRA2HTRA1USP2FOLH1ALB
SCHEMBL13073173 0.72 ALB (0.54) HTRA2HTRA1FOLH1ALBSLC5A2

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
EP-1673399-B1 DETECTING AND PROFILING MOLECULAR COMPLEXES MONOGRAM BIOSCIENCES INC (US) 2017-04-05 — — EP disclosed
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