SCHEMBL2033309

SCHEMBL2033309

COC(=O)CCCCCNC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
EPHX2 P34913 6/20 0.53
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.44
ADRA1A P35348 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL15044413 0.92 TSHR (0.58) TSHREPHX2LMNAALDH1A1
SCHEMBL381238 0.85 EPHX2 (0.50) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL4103229 0.85 EPHX2 (0.50) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL9307831 0.84 PRMT1 (0.41) EPHX2LMNAALDH1A1ADRA1AEPHX1
SCHEMBL9308061 0.84 PRMT1 (0.41) EPHX2LMNAALDH1A1ADRA1AEPHX1
SCHEMBL11792895 0.83 EPHX2 (0.54) TSHREPHX2ALDH1A1
SCHEMBL5840681 0.83 EPHX2 (0.54) TSHREPHX2ALDH1A1
SCHEMBL10057015 0.83 TSHR (0.55) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL4093088 0.82 TSHR (0.52) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL6014001 0.82 EPHX1 (0.64) TSHREPHX2LMNAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754094-B2 Methods for heat shock protein dependent cancer treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-06-17 US disclosed
US-20110160160-A1 METHODS FOR HEAT SHOCK PROTEIN DEPENDENT CANCER TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-06-30 US disclosed
WO-2009023846-A2 METHODS FOR HEAT SHOCK PROTEIN DEPENDENT CANCER TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-02-19 WO disclosed