SCHEMBL8003854

SCHEMBL8003854

CC1(C)CC[C@@H](C(=O)O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 2/20 0.35
NFKB1 P19838 2/20 0.35
THPO P40225 2/20 0.35
GMNN O75496 2/20 0.35
LMNA P02545 2/20 0.35
PMP22 Q01453 2/20 0.35
CYP2C19 P33261 1/20 0.35
STAT6 P42226 1/20 0.35
HIF1A Q16665 1/20 0.35
NPC1 O15118 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APLNR P35414 1/20 0.34
FFAR3 O14843 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL8003858 1.00 MAPK1 (0.35) MAPK1NPSR1TP53NFKB1THPO
SCHEMBL17541903 0.87 MAPK1 (0.34) MAPK1NPSR1TP53NFKB1THPO
SCHEMBL19747687 0.82 MAPK1 (0.31) MAPK1NPSR1TP53NFKB1THPO
SCHEMBL11851494 0.78 MAPK1 (0.38) MAPK1NPSR1TP53NFKB1THPO
SCHEMBL19550764 0.75 MAPK1 (0.33) MAPK1NPSR1MEN1GAAKMT2A
SCHEMBL19550763 0.75 MAPK1 (0.33) MAPK1NPSR1MEN1GAAKMT2A
SCHEMBL19550825 0.75 MAPK1 (0.33) MAPK1NPSR1MEN1GAAKMT2A
SCHEMBL8016106 0.75 G6PD (0.32)
SCHEMBL23483851 0.74 HSD11B1 (0.31) MAPK1NPSR1TP53NFKB1THPO
SCHEMBL30001364 0.74 HSD11B1 (0.31) MAPK1NPSR1TP53NFKB1THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1111410-C The preparation of drug combination method PFIZER (US) 2003-06-18 CN disclosed
CN-1061046-C Process for preparing cephalosporin derivatives PFIZER (US) 2001-01-24 CN disclosed
US-6077952-A Cephaloporins and homologues PFIZER INC. (US) 2000-06-20 US disclosed
US-6020329-A Cephaloporins and homologues, preparations and pharmaceutical compositions PZIFER INC. (US) 2000-02-01 US disclosed
US-6001997-A Cephalosporins and homologues, preparations and pharmaceutical compositions BATESON JOHN HARGREAVES (GB) 1999-12-14 US disclosed
CN-1223859-A Process for preparation of pharmaceutical composition PFIZER (US) 1999-07-28 CN disclosed
EP-0540609-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS PFIZER INC. (US) 1993-05-12 EP disclosed
CN-1060469-A Process for preparing cephalosporin derivatives BEECHAM GROUP PLC (GB) 1992-04-22 CN disclosed
WO-1992001696-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1992-02-06 WO disclosed