SCHEMBL4368164

SCHEMBL4368164

C=CC(=O)C1CSCCS1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL28898209 0.72
SCHEMBL372523 0.68
SCHEMBL775574 0.67
SCHEMBL7571376 0.67 HPGD (0.41) HPGDALDH1A1LMNA
SCHEMBL23901058 0.65 THRA (0.31)
SCHEMBL4368163 0.61 NOS2 (0.32)
SCHEMBL10775241 0.56 THRA (0.61) ALDH1A1LMNA
SCHEMBL4713780 0.56
SCHEMBL3695405 0.53
SCHEMBL1056492 0.53

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-20090247420-A1 METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES NATIONAL SCIENCE FOUNDATION 2009-10-01 US disclosed
WO-2007070761-A2 METHOD FOR ENCODING AND SCREENING COMBINATORIAL LIBRARIES COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER (US) 2007-06-21 WO disclosed