SCHEMBL9344342

SCHEMBL9344342

[CH2]CCCC#CCCCCCCC#CCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.50
HMGCR P04035 3/20 0.50
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 3/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3215602 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL7992241 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL3862473 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL17608683 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL3857559 1.00 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL1551102 0.97 PTPN7 (0.46) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL1475879 0.95 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL8669383 0.95 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL3989043 0.95 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL3868197 0.95 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1TSHR

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-5358942-A Inhibition of protein kinase C with Cyclic phosphonate compounds LOUISIANA STATE UNIVERSITY (US) 1994-10-25 US disclosed
US-5196418-A Carnitine palmitoyltransferase inhibitors BOARD OF SUPERVISORS, LOUISIANA STATE UNIVERSITY AGRICULTURAL & MECHANICAL COLLEGE (US) 1993-03-23 US disclosed