SCHEMBL7539788

SCHEMBL7539788

CCOc1ccc2c(C(=O)Oc3c(C)cc(C(=O)OCc4ccccc4)cc3C)c3cc4ccccc4cc3nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NMT1 P30419 4/20 0.39
NMT2 O60551 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
TP53 P04637 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 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
SCHEMBL7533840 0.90 TDP1 (0.42) MEN1HSP90AA1KMT2ALMNAMAPT
SCHEMBL7531593 0.89 GAA (0.43) MEN1HSP90AA1KMT2AMAOBLMNA
SCHEMBL7532967 0.86 TACR3 (0.47) MEN1KMT2AMAOBL3MBTL1TOP2A
SCHEMBL7531961 0.86 PLA2G2A (0.48) MEN1HSP90AA1KMT2ALMNAMAPT
SCHEMBL7106167 0.85 KMT2A (0.38) MEN1HSP90AA1KMT2ATOP2ATOP2B
SCHEMBL9631380 0.84 TDP1 (0.47) KMT2ALMNAMAPTL3MBTL1ALDH1A1
SCHEMBL7099359 0.84 MEN1 (0.41) MEN1HSP90AA1KMT2AMAOBMAPT
SCHEMBL4802002 0.83 PLA2G2A (0.48) MEN1HSP90AA1KMT2AMAOBLMNA
SCHEMBL4194817 0.83 MEN1 (0.41) MEN1HSP90AA1KMT2AMAOBTOP2A
SCHEMBL924047 0.83 PLA2G2A (0.51) KMT2ALMNAMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5702887-A BENZ(B)ACRIDINIUM-12-CARBOXYLATE COMPOUNDS CHIRON DIAGNOSTICS CORPORATION (US) 1997-12-30 US claimed
EP-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5879894-A DETECTION AND/OR QUANTITATION OF AT LEAST TWO SUBSTANCES IN A TEST SAMPLE; APPLICATION IN CLINICAL DIAGNOSTICS CHIRON DIAGNOSTICS CORPORATION (US) 1999-03-09 US disclosed
US-5702887-A BENZ(B)ACRIDINIUM-12-CARBOXYLATE COMPOUNDS CHIRON DIAGNOSTICS CORPORATION (US) 1997-12-30 US disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed