SCHEMBL2230318

SCHEMBL2230318

NCCCCCCCCCCCCCCCCCCCCCCCN.O=C(O)CCCCCCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ THRB P10828 2/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ ALOX15 P16050 2/20 1.00
▸ PLG P00747 1/20 1.00
▸ SLC6A2 P23975 1/20 1.00
▸ RECQL P46063 1/20 1.00
▸ SLC6A3 Q01959 1/20 1.00
▸ NFKB1 P19838 2/20 0.94
▸ CYP2D6 P10635 1/20 0.94
▸ BLM P54132 2/20 0.89
▸ NPSR1 Q6W5P4 2/20 0.89
▸ TSHR P16473 6/20 0.78
▸ HDAC11 Q96DB2 6/20 0.78
▸ GABRR3 A8MPY1 1/20 0.78
▸ GABRP O00591 1/20 0.78
▸ GABRD O14764 1/20 0.78
▸ HDAC3 O15379 1/20 0.78

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
SCHEMBL1876357 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1
12-Aminododecanoic Acid SCHEMBL1235115 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1
Adipic Acid SCHEMBL258770 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1
SCHEMBL332272 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1
SCHEMBL472263 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1
Sebacic Acid SCHEMBL5378952 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1
Aminocaproic Acid SCHEMBL21141584 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1
12-Aminododecanoic Acid SCHEMBL20767098 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1
Pimelic Acid SCHEMBL21465298 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1
SCHEMBL188819 1.00 LMNA (1.00) LMNAKMT2AALDH1A1THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528963-B1 POLYMERS MADE OF RENEWABLE RESOURCES BASF SE (DE) 2015-09-23 — — EP disclosed
US-9096715-B2 Polymers made of renewable resources BASF SE (DE) 2015-08-04 — — US disclosed
US-20130030075-A1 POLYMERS MADE OF RENEWABLE RESOURCES BASF SE (DE) 2013-01-31 — — US disclosed
EP-2528963-A1 POLYMERS MADE OF RENEWABLE RESOURCES BASF SE (DE) 2012-12-05 — — EP disclosed
WO-2011089256-A1 POLYMERS MADE OF RENEWABLE RESOURCES MECKING STEFAN (DE) 2011-07-28 — — WO disclosed
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