SCHEMBL9489137

SCHEMBL9489137

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.56
EPHX2 P34913 3/20 0.54
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
BLM P54132 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
PTPN7 P35236 1/20 0.50
MCL1 Q07820 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAAA Q02083 1/20 0.44
CNR1 P21554 5/20 0.40
DNM1 Q05193 1/20 0.40

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
SCHEMBL9421450 0.99 SELP (0.58) SELPEPHX2RECQLTDP1MEN1
SCHEMBL24469777 0.91 SELP (0.64) SELPEPHX2MEN1ALDH1A1KMT2A
SCHEMBL12763686 0.87 SELP (0.75) SELPEPHX2TDP1MEN1ALDH1A1
SCHEMBL9489747 0.86 SELP (0.73) SELPEPHX2RECQLTDP1MEN1
SCHEMBL9421476 0.85 SELP (0.76) SELPEPHX2RECQLTDP1MEN1
SCHEMBL9467943 0.84 SELP (0.41) SELPEPHX2RECQLTDP1MEN1
SCHEMBL9475104 0.83 SELP (0.43) SELPEPHX2RECQLTDP1MEN1
SCHEMBL3495212 0.83 NAAA (0.59) SELPTDP1MEN1ALDH1A1BLM
SCHEMBL9425840 0.83 NAAA (0.59) SELPTDP1MEN1ALDH1A1BLM
SCHEMBL399954 0.83 NAAA (0.59) SELPTDP1MEN1ALDH1A1BLM

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-0279954-B1 AMIDES OF EICOSATETRAYNOIC ACID, THEIR PHARMACEUTICAL AND COSMETIC USE, THEIR PREPARATION AND PROCESS FOR THE PREPARATION OF EICOSATETRAYNOIC ACID CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-03-17 EP claimed
US-4916136-A LIPOXYGENASE AND CYCLOOXYGENASE INHIBITORS Centre International de Recherches Dermatologioues C.I.R.D. (FR) 1990-04-10 US claimed
US-4916136-A LIPOXYGENASE AND CYCLOOXYGENASE INHIBITORS Centre International de Recherches Dermatologioues C.I.R.D. (FR) 1990-04-10 US disclosed