SCHEMBL7535147

SCHEMBL7535147

COc1ccc(Nc2cc3ccccc3cc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
GFER P55789 1/20 0.74
NGLY1 Q96IV0 1/20 0.74
AKR1C3 P42330 13/20 0.71
AKR1C2 P52895 13/20 0.71
CTSV O60911 2/20 0.61
CTSL P07711 2/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 2/20 0.55
CASP3 P42574 1/20 0.55
RAB9A P51151 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
SCHEMBL14598923 0.91 AKR1C3 (0.78) MAPTGFERNGLY1AKR1C3AKR1C2
SCHEMBL1415572 0.89 AKR1C3 (0.82) MAPTGFERAKR1C3AKR1C2CTSV
SCHEMBL29747498 0.86 MAPT (1.00) MAPTGFERNGLY1AKR1C3AKR1C2
SCHEMBL7534675 0.86 MAPT (1.00) MAPTGFERNGLY1AKR1C3AKR1C2
SCHEMBL14598926 0.84 AKR1C3 (0.81) MAPTGFERAKR1C3AKR1C2CTSV
SCHEMBL8773601 0.84 AKR1C3 (0.81) MAPTGFERAKR1C3AKR1C2CTSV
SCHEMBL9593627 0.83 MEN1 (0.83) MAPTGFERAKR1C3AKR1C2CTSV
SCHEMBL9595058 0.83 AKR1C3 (1.00) MAPTAKR1C3AKR1C2MEN1KMT2A
SCHEMBL355486 0.83 AKR1C3 (0.72) MAPTAKR1C3AKR1C2CTSVCTSL
SCHEMBL30213377 0.83 AKR1C3 (0.72) MAPTAKR1C3AKR1C2CTSVCTSL

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