SCHEMBL17973365

SCHEMBL17973365

O=C(CCC1CCCC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
FFAR1 O14842 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
RAB9A P51151 1/20 0.57
HIF1A Q16665 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 1/20 0.56
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTPN1 P18031 1/20 0.50
GSK3B P49841 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL28946798 0.90 KMT2A (0.69) KMT2ASMN1; SMN2LMNACYP1A2RAB9A
SCHEMBL2443481 0.88 KMT2A (0.68) KMT2ASMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL13912376 0.88 KMT2A (0.68) KMT2ASMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL7493236 0.86 KMT2A (0.69) KMT2ASMN1; SMN2LMNAL3MBTL1HPGD
SCHEMBL12568921 0.83 KMT2A (0.54) KMT2ASMN1; SMN2RAB9AHPGDBCHE
SCHEMBL852409 0.83 KMT2A (0.55) KMT2ASMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL13814798 0.83 BCHE (0.67) KMT2ASMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL27832662 0.83 KMT2A (0.61) KMT2ASMN1; SMN2RAB9AL3MBTL1HPGD
SCHEMBL17973390 0.82 SMN1; SMN2 (0.51) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL24634194 0.82 KMT2A (0.53) KMT2ASMN1; SMN2LMNARAB9AL3MBTL1

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
WO-2016122160-A1 NOVEL DIOXIMESTER COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 주식회사 삼양사 2016-08-04 WO disclosed