SCHEMBL8729280

SCHEMBL8729280

C=CC(=O)OCCCCCCCCCCCCOc1cnc(-c2ccc(COc3ccc(C(=O)OCC)cc3OCc3ccc(-c4ncc(OCCCCCCCCCCCCOC(=O)C=C)cn4)cc3)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.41
MAOB P27338 4/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
XDH P47989 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
SMPD1 P17405 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL8724338 0.94 KDM4E (0.37) TNFRSF1AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8723328 0.92 MAPT (0.43) LMNARAB9AMAPTCYP1A2CYP3A4
SCHEMBL8075506 0.91 CSF1R (0.39) MAOBNPC1LMNARAB9AHSD17B10
SCHEMBL8067412 0.89 XDH (0.43) MAOBLMNAXDHMAPTCYP3A4
SCHEMBL8080467 0.87 THRB (0.39) NPC1RAB9AXDHMAPTCYP3A4
SCHEMBL8729302 0.87 MAPT (0.44) TNFRSF1ANPC1LMNARAB9AHSD17B10
SCHEMBL8081983 0.83 XDH (0.41) XDHMRGPRX4
SCHEMBL8077202 0.83 XDH (0.41) XDHMRGPRX4
SCHEMBL8082110 0.83 XDH (0.41) XDHMRGPRX4
SCHEMBL8081952 0.83 XDH (0.41) XDHMRGPRX4

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-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed