SCHEMBL9209995

SCHEMBL9209995

C[CH]CCCCCCC#CCCCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.42
HMGCR P04035 5/20 0.42
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 3/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9213040 1.00 PTPN7 (0.42) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9210902 1.00 PTPN7 (0.42) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9212952 0.98 PTPN7 (0.39) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9211881 0.95 PTPN7 (0.47) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9214612 0.95 PTPN7 (0.47) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9213118 0.95 PTPN7 (0.47) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9207539 0.95 PTPN7 (0.47) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9213487 0.89 RECQL (0.52) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL9208114 0.86 RAB9A (0.36) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL2119404 0.85 TSHR (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed