SCHEMBL20848673

SCHEMBL20848673

B[C@H](C)CC#CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.41
HMGCR P04035 2/20 0.41
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
EPHX2 P34913 3/20 0.33
TSHR P16473 1/20 0.33
TRPM8 Q7Z2W7 4/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL9547965 0.81 PTPN7 (0.43) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL10798016 0.77 PTPN7 (0.41) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL19959103 0.77 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9717932 0.77 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL1760799 0.77 PTPN7 (0.56) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL29625174 0.76 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9712206 0.76 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL29625159 0.76 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9135760 0.76 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL23040316 0.74 PTPN7 (0.61) PTPN7HMGCRRECQLTDP1KDM4E

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-10890546-B2 Transient induced molecular electronic spectroscopy method for study of molecule interactions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-20190094166-A1 TRANSIENT INDUCED MOLECULA ELECTRONIC SPECTROSCOPY METHOD FOR STUDY OF MOLECULE INTERACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-03-28 US disclosed