SCHEMBL5315937

SCHEMBL5315937

COCCOCCOC(OCCOCCOC)(OCCOCCOC)OC(=O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 3/20 0.38
NPC1 O15118 2/20 0.38
CYP2D6 P10635 2/20 0.38
ABCB11 O95342 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
SCN5A Q14524 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL5315540 0.81 CYP19A1 (0.45) SMN1; SMN2KDM4E
SCHEMBL5317685 0.78 PKM (0.43) LMNASMN1; SMN2KDM4ENPC1L3MBTL1
SCHEMBL14919008 0.75 TSHR (0.55) LMNACYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL3910178 0.73 KDM4E (0.43) LMNACYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL3908799 0.72 KMT2A (0.44) LMNACYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL17641405 0.71 KDM4E (0.57) LMNAHSD17B10KDM4EKMT2AADRB2
SCHEMBL5310369 0.70 ALDH1A1 (0.42) CYP1A2CYP2C19SMN1; SMN2HSD17B10KDM4E
SCHEMBL3914955 0.70 CYP3A4 (0.45) LMNACYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL14501101 0.70 ALDH1A1 (0.56) LMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL5315935 0.69 MAPT (0.40) LMNACYP1A2CYP2C19CYP2C9SMN1; SMN2

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
EP-1840158-A1 METHOD FOR VULCANIZATION AND ADHESION OF RUBBER COMPOSITION WITH ARTICLE TO BE ADHERED BEING MADE OF BRASS OR PLATED WITH BRASS, REINFORCING MATERIAL FOR RUBBER ARTICLE, RUBBER-REINFORCING MATERIAL COMPOSITE, AND PNEUMATIC TIRE Bridgestone Corporation (JP) 2007-10-03 EP disclosed