SCHEMBL9467943

SCHEMBL9467943

CCCCCC#CCC#CCC#CCC#CCSCC(=O)NCCOCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.41
PTPN7 P35236 4/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 4/20 0.38
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL9475104 0.99 SELP (0.43) SELPPTPN7RECQLTDP1ALDH1A1
SCHEMBL9467888 0.87 SELP (0.56) SELPPTPN7RECQLTDP1ALDH1A1
SCHEMBL9489137 0.84 SELP (0.56) SELPPTPN7RECQLTDP1ALDH1A1
SCHEMBL9421450 0.83 SELP (0.58) SELPPTPN7RECQLTDP1ALDH1A1
SCHEMBL9467992 0.80 RECQL (0.49) SELPPTPN7RECQLTDP1ALDH1A1
SCHEMBL24469777 0.78 SELP (0.64) SELPPTPN7ALDH1A1MEN1MAPT
SCHEMBL12763686 0.74 SELP (0.75) SELPPTPN7TDP1ALDH1A1MEN1
SCHEMBL7135940 0.72 PTPN7 (0.62) PTPN7RECQLTDP1ALDH1A1MEN1
SCHEMBL6560234 0.72 PTPN7 (0.62) PTPN7RECQLTDP1ALDH1A1MEN1
SCHEMBL6559624 0.71 RECQL (0.63) PTPN7RECQLTDP1ALDH1A1MEN1

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-5268494-A Compound containing conjugated triple bonds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1993-12-07 US disclosed
US-5151534-A Antiallergens, antiinflammatory agents or skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1992-09-29 US disclosed