SCHEMBL20162540

SCHEMBL20162540

CCON(c1ccc(OC)cc1)C(CC(C)C)C(=O)OP(=O)(O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
ADAM17 P78536 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4268833 0.89 POLB (0.33) MMP9MEN1KMT2AALDH1A1TDP1
SCHEMBL10004996 0.88 TAS1R3 (0.39) ALOX15TAS1R3TAS1R1MEN1KMT2A
SCHEMBL10003812 0.86 CTSS (0.39) MMP1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL10004648 0.86 ALOX15 (0.39) ALOX15ADAM17MMP1MMP3MMP9
SCHEMBL4633796 0.83 HPGD (0.36) LMNASMN1; SMN2MAPTMAPK1HTT
SCHEMBL7795340 0.72 SMN1; SMN2 (0.38) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL645087 0.72 RAB9A (0.41) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10004534 0.72 NPC1 (0.36) MMP3MMP9ALDH1A1NPC1RAB9A
SCHEMBL12496550 0.70 MAPT (0.38) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL9814756 0.69 ANPEP (0.33) ANPEP

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-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed