SCHEMBL15086161

SCHEMBL15086161

CCC1O[C@@H](SC)C(N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 8/20 0.50
▸ LGALS9 O00182 6/20 0.50
▸ LGALS1 P09382 6/20 0.50
▸ LGALS7; LGALS7B P47929 5/20 0.50
▸ LGALS8 O00214 3/20 0.40
▸ PTPN1 P18031 3/20 0.38
▸ P2RY11 Q96G91 1/20 0.34
▸ LGALS4 P56470 1/20 0.32
▸ SELP P16109 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SSTR4 P31391 2/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL14878331 0.92 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL13804416 0.92 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL14900285 0.92 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL15086139 0.92 LGALS3 (0.47) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL13814628 0.92 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL13804400 0.92 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL14900286 0.90 LGALS9 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL16330468 0.90 LGALS9 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL14878341 0.84 LGALS3 (0.58) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL15086135 0.84 LGALS3 (0.58) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8

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-9709571-B2 Method of drug design VAST BIOSCIENCE PTY LIMITED (AU) 2017-07-18 — — US disclosed
US-20130172210-A1 METHOD OF DRUG DESIGN ALCHEMIA LIMITED (AU) 2013-07-04 — — US disclosed
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