SCHEMBL16060611

SCHEMBL16060611

CC(C)C(=O)Oc1ccccc1-c1ccccc1OC(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.49
▸ ALOX15 P16050 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ADRB2 P07550 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ACHE P22303 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39

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
SCHEMBL26036814 0.91 KMT2A (0.47) ELANEALOX15KMT2AMEN1ADRB2
SCHEMBL19355097 0.91 FABP7 (0.48) ELANEALOX15KMT2AMEN1ADRB2
SCHEMBL15547599 0.89 ALOX15 (0.55) ELANEALOX15KMT2AMEN1ADRB2
SCHEMBL23518659 0.89 FABP3 (0.49) ELANEKMT2AMEN1ADRB2ALDH1A1
Bromide SCHEMBL16050020 0.87 ALOX15 (0.53) ELANEALOX15KMT2AMEN1ADRB2
SCHEMBL17430642 0.83 ALOX15 (0.38) ELANEALOX15KMT2AMEN1ADRB2
SCHEMBL10713156 0.82 CA1 (0.48) ELANEALOX15KMT2AMEN1ADRB2
SCHEMBL4090809 0.82 KMT2A (0.55) ELANEALOX15KMT2AALDH1A1MAPT
SCHEMBL11239025 0.82 ELANE (0.47) ELANEALOX15KMT2AMEN1ADRB2
SCHEMBL1261877 0.82 MEN1 (0.51) ELANEALOX15KMT2AMEN1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10900941-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2021-01-26 — — US disclosed
US-10788471-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2020-09-29 — — US disclosed
US-10788471-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2020-09-29 — — US disclosed
US-20180364206-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY 2018-12-20 — — US disclosed
US-20180292370-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION UNIV GEORGETOWN (US) 2018-10-11 — — US disclosed
US-10012627-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2018-07-03 — — US disclosed
US-10012627-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2018-07-03 — — US disclosed
US-10012627-B2 Determining stereoisomeric excess, concentration and absolute configuration GEORGETOWN UNIVERSITY (US) 2018-07-03 — — US disclosed
US-20160011156-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY 2016-01-14 — — US disclosed
US-20160011156-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY 2016-01-14 — — US disclosed
US-20160011156-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY 2016-01-14 — — US disclosed
WO-2014145251-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY (US) 2014-09-18 — — WO disclosed
WO-2014145251-A1 DETERMINING STEREOISOMERIC EXCESS, CONCENTRATION AND ABSOLUTE CONFIGURATION GEORGETOWN UNIVERSITY (US) 2014-09-18 — — WO disclosed
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