SCHEMBL15901049

SCHEMBL15901049

CC#CC#CCCCCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.52
PTPN7 P35236 5/20 0.52
SELP P16109 1/20 0.42
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4595942 0.89 HMGCR (0.60) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL9743665 0.86 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL9744189 0.86 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL9743319 0.86 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL9744844 0.86 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL3426230 0.86 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL9744103 0.86 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL2555532 0.86 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL5184571 0.86 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL5973569 0.86 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1

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-8894782-B2 Hypergolic hydrocarbon fuels WILEY ORGANICS, INC. (US) 2014-11-25 US disclosed
US-20140209224-A1 Hypergolic hydrocarbon fuels WILEY COMPANIES 2014-07-31 US disclosed