SCHEMBL11064982

SCHEMBL11064982

CCOC(=O)Cc1c(C(=O)OCC)c(CCc2cccc(Cl)c2)c(C(=O)O)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
PTGES O14684 2/20 0.41
MAOB P27338 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL11059882 0.92 ALOX5 (0.46) ALOX5SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11063907 0.89 ALOX5 (0.43) ALOX5SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11069392 0.89 SMN1; SMN2 (0.51) ALOX5SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11065605 0.88 MAOB (0.41) ALOX5SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11068597 0.82 ALOX5 (0.47) ALOX5SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11064362 0.79 MAPT (0.48) ALOX5SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11191094 0.78 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL11071958 0.77 ALOX5 (0.53) ALOX5SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11198914 0.76 ALOX5 (0.56) ALOX5SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11063059 0.74 ALOX5 (0.44) ALOX5SMN1; SMN2KMT2AMEN1LMNA

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
US-4444981-A ANTIINFLAMMATORY, ANALGESICS BEECHAM GROUP LIMITED (GB) 1984-04-24 US disclosed
EP-0024807-B1 BENZOCYCLOHEPTAPYRROLEALKANOIC ACIDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-11-02 EP disclosed
EP-0024807-A1 Benzocycloheptapyrrolealkanoic acids and their derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-03-11 EP disclosed