SCHEMBL6865044

SCHEMBL6865044

COc1ccc(CC(=O)O)c(Oc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
LPAR3 Q9UBY5 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
CYP1A2 P05177 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AMY1A P0DUB6 1/20 0.45
TBXA2R P21731 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
TXNRD1 Q16881 1/20 0.44

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
SCHEMBL9152555 0.84 MAPT (0.52) LPAR3CAMK2ACYP1A2ALDH1A1MAPT
SCHEMBL9152543 0.84 MAPT (0.52) LPAR3CAMK2ACYP1A2ALDH1A1MAPT
SCHEMBL6175515 0.82 CAMK2A (0.68) HSD17B10CAMK2AAKR1C3AKR1C2ALDH1A1
SCHEMBL6864121 0.81 HSD17B10 (0.56) HSD17B10CAMK2AAKR1C3AKR1C2ALDH1A1
SCHEMBL1626559 0.77 CYP1A2 (0.63) CYP1A2ALDH1A1MAPTLMNAMEN1
SCHEMBL29812478 0.77 CYP1A2 (0.63) CYP1A2ALDH1A1MAPTLMNAMEN1
SCHEMBL25386626 0.77 NFE2L2 (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL30334863 0.77 NFE2L2 (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL30059246 0.76 LMNA (0.61) AKR1C3AKR1C2ALDH1A1MAPTLMNA
SCHEMBL515302 0.76 LMNA (0.61) AKR1C3AKR1C2ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973730-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-06-16 EP disclosed
US-6294531-B1 AMINOALKANOLS AS BLOOD COAGULANTS SMITHKLINE BEECHAM CORPORATION 2001-09-25 US disclosed
EP-0973730-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-26 EP disclosed
WO-1998045255-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-15 WO disclosed