SCHEMBL7538239

SCHEMBL7538239

CC(C)c1cc(C(=O)OCc2ccccc2)cc(C(C)C)c1OC(=O)c1c2ccccc2[n+](C)c2ccccc12.O=S(=O)([O-])F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.41
MAPT P10636 7/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 5/20 0.37
HPGD P15428 1/20 0.34
JMJD6 Q6NYC1 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
SCHEMBL7538139 0.95 GLRA1 (0.37) GLRA1MAPTLMNAALDH1A1RAB9A
SCHEMBL7531533 0.83 MAPT (0.37) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL8909050 0.81 MAPT (0.39) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL7538206 0.81 NPC1 (0.37) MAPTNPC1SLC6A2SLC6A3KMT2A
SCHEMBL7533211 0.80 GLRA1 (0.47) GLRA1MAPTLMNAALDH1A1RAB9A
Trifluoromethanesulfonic Acid SCHEMBL4197431 0.79 LMNA (0.36) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL13979971 0.77 LMNA (0.43) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL7532857 0.76 TP53 (0.39) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL7103348 0.76 MAPT (0.35) MAPTLMNAALDH1A1RAB9ANPC1
SCHEMBL7099955 0.76 MAPT (0.35) MAPTLMNAALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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