SCHEMBL7027248

SCHEMBL7027248

CCCCCN[C@@H](C)C(=O)OP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.42
NAAA Q02083 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRTN3 P24158 1/20 0.39
HDAC3 O15379 1/20 0.38
ELANE P08246 1/20 0.37
BTN3A1 O00481 4/20 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
SCHEMBL7027694 0.96 SMN1; SMN2 (0.41) ZDHHC2SMN1; SMN2PRTN3HDAC3ELANE
SCHEMBL7026588 0.91 PGR (0.41) SMN1; SMN2PRTN3ELANEBTN3A1
SCHEMBL7022520 0.84 NPC1 (0.38) SMN1; SMN2PRTN3
SCHEMBL7024859 0.83 FAAH (0.39) SMN1; SMN2
SCHEMBL3970115 0.82 TSHR (0.39) PRTN3HDAC3ELANEBTN3A1
SCHEMBL3970116 0.82 TSHR (0.39) PRTN3HDAC3ELANEBTN3A1
SCHEMBL15721086 0.81 KMT2A (0.44) PRTN3ELANE
SCHEMBL7027815 0.80 PRTN3 (0.39) PRTN3ELANEBTN3A1
SCHEMBL5857844 0.79 ELANE (0.40) PRTN3ELANEBTN3A1
SCHEMBL873273 0.79 BTN3A1 (0.41) PRTN3ELANEBTN3A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117669-B1 ANTIVIRAL PURINE DERIVATIVES UNIV CARDIFF (GB) 2003-01-29 EP disclosed
EP-1117669-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2001-07-25 EP disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 WO disclosed