SCHEMBL6522232

SCHEMBL6522232

O=C(O)CC(C(=O)O)=C(CC(=O)OC1CCCCC1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38
CNR1 P21554 3/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6515935 0.84 KDM2B (0.44) MEN1KMT2AMAPTALDH1A1EPHX1
SCHEMBL6522172 0.81 LMNA (0.41) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6520296 0.79 NR4A1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6518911 0.75 CNR2 (0.50) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL6524366 0.74 NR4A1 (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6516699 0.74 NPC1 (0.44) MEN1KMT2AMAPTALDH1A1CNR1
SCHEMBL6520550 0.74 NPC1 (0.42) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2119946 0.74 KMT2A (0.56) MEN1KMT2AALDH1A1KDM4EEPHX1
SCHEMBL6520556 0.74 KDM2B (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL6516613 0.73 NR4A1 (0.45) MEN1KMT2AMAPTALDH1A1HPGD

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed