SCHEMBL20162521

SCHEMBL20162521

CCCCCCCCCCCCON(c1ccccc1)C(C)C(=O)OP(=O)(O)Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CETP P11597 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
JAK2 O60674 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
PLA2G2D Q9UNK4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 3/20 0.36

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
SCHEMBL17786771 1.00 TSHR (0.39) TSHRALDH1A1LMNACETPNPC1
SCHEMBL7771446 0.88 FDPS (0.39) LMNA
SCHEMBL7795340 0.86 SMN1; SMN2 (0.38) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL20856173 0.86 SMN1; SMN2 (0.38) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL472178 0.81 ALDH1A1 (0.38) TSHRALDH1A1LMNACETPKDM4E
SCHEMBL779563 0.81 SMN1; SMN2 (0.37) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL7025600 0.79 CHRM2 (0.38) ALDH1A1NPC1RAB9APAX8SMN1; SMN2
SCHEMBL7028386 0.79 PTGIR (0.39)
SCHEMBL22321965 0.79 KDM4E (0.36) TSHRALDH1A1LMNASMN1; SMN2TP53
SCHEMBL382026 0.79 KDM4E (0.36) TSHRALDH1A1LMNASMN1; SMN2TP53

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