SCHEMBL18544205

SCHEMBL18544205

O=C(c1cccc2ccccc12)P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
CNR1 P21554 3/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
EPHX1 P07099 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GAA P10253 1/20 0.43
PTPN1 P18031 1/20 0.42
CDC25B P30305 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL15022943 0.78 NPC1 (0.54) LMNAEPHX1
SCHEMBL29875548 0.76 GAA (0.63) CNR2CNR1NR4A1NR4A2NR4A3
SCHEMBL8712217 0.76 GAA (0.63) CNR2CNR1NR4A1NR4A2NR4A3
SCHEMBL20955841 0.73 MCL1 (0.43) POLBEPHX1GAA
Naphthoic Acid SCHEMBL28015206 0.72 NR4A1 (0.72) CNR2CNR1NR4A1NR4A2NR4A3
Naphthoic Acid SCHEMBL30525212 0.72 NR4A1 (0.88) NR4A1NR4A2NR4A3LMNAPOLB
SCHEMBL28339898 0.72 NR4A1 (0.61) CNR2NR4A1NR4A2NR4A3LMNA
SCHEMBL3456146 0.72 NPC1 (0.65) LMNAEPHX1GAA
SCHEMBL2119946 0.72 KMT2A (0.56) CNR2CNR1NR4A1NR4A2NR4A3
SCHEMBL3954720 0.72 NPC1 (0.65) LMNAEPHX1GAA

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-20180244865-A1 INCREASED EFFICIENCY DESULFURIZATION REAGENTS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-08-30 US disclosed
EP-3135712-A1 INCREASED EFFICIENCY OF DESULFURIZATION REAGENTS ARLANXEO Deutschland GmbH (DE) 2017-03-01 EP disclosed