SCHEMBL9491685

SCHEMBL9491685

O=C(CCCCCCC1CCCCC1)OC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.68
SMN1; SMN2 Q16637 1/20 0.50
KDM5A P29375 3/20 0.48
PHF8 Q9UPP1 3/20 0.48
KDM2A Q9Y2K7 3/20 0.48
KDM4C Q9H3R0 2/20 0.48
KDM4A O75164 1/20 0.48
SIGMAR1 Q99720 3/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 1/20 0.43
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL19007855 0.93 NAAA (0.62) NAAASMN1; SMN2KDM5APHF8KDM2A
SCHEMBL10681784 0.89 NAAA (0.68) NAAASMN1; SMN2KDM5APHF8KDM2A
SCHEMBL10678585 0.89 NAAA (0.82) NAAASMN1; SMN2EPHX1HTTMEN1
SCHEMBL10686004 0.89 NAAA (0.82) NAAASMN1; SMN2EPHX1HTTMEN1
SCHEMBL10678579 0.89 NAAA (0.82) NAAASMN1; SMN2EPHX1HTTMEN1
SCHEMBL10681790 0.89 NAAA (0.68) NAAASMN1; SMN2KDM5APHF8KDM2A
SCHEMBL10672576 0.89 NAAA (0.77) NAAASMN1; SMN2KDM5APHF8KDM2A
SCHEMBL10672587 0.89 NAAA (0.77) NAAASMN1; SMN2KDM5APHF8KDM2A
SCHEMBL10685998 0.89 NAAA (0.82) NAAASMN1; SMN2EPHX1HTTMEN1
SCHEMBL10676695 0.89 NAAA (0.82) NAAASMN1; SMN2EPHX1HTTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204019-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed