SCHEMBL9467992

SCHEMBL9467992

CCCCCCCCC#CCC#CCC#CCSCC(=O)NCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PTPN7 P35236 5/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.44
EPHX2 P34913 4/20 0.42
HMGCR P04035 3/20 0.41
SELP P16109 1/20 0.40
PTGS2 P35354 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
SCHEMBL9467888 0.88 SELP (0.56) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL7135999 0.82 RECQL (0.63) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL6560229 0.82 RECQL (0.63) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL6560559 0.82 RECQL (0.63) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL9467932 0.82 RECQL (0.54) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL6559624 0.82 RECQL (0.63) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL7139739 0.82 RECQL (0.63) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL6560232 0.82 RECQL (0.63) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL9475104 0.81 SELP (0.43) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL9421486 0.80 RECQL (0.65) RECQLTDP1PTPN7KDM4EMEN1

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