SCHEMBL2454853

SCHEMBL2454853

O=C(CC(C(=O)NC1CCCCC1)C(CC(=O)NC1CCCCC1)C(=O)NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.53
HPGD P15428 4/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C19 P33261 2/20 0.51
EPHX2 P34913 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL12065150 0.98 SMN1; SMN2 (0.53) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3241644 0.85 EPHX1 (0.53) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13209039 0.83 EPHX1 (0.52) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL556878 0.81 KMT2A (0.47) EPHX1HPGDKMT2ASMN1; SMN2RAB9A
SCHEMBL557178 0.80 HPGD (0.41) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2447963 0.79 HPGD (0.54) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2447962 0.79 HPGD (0.54) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14943202 0.79 HPGD (0.50) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9083123 0.79 HPGD (0.54) EPHX1HPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2450389 0.79 CYP3A4 (0.43) HPGDKMT2ASMN1; SMN2RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015021948-A1 AGENT FOR NUCLEATION OF POLYOLEFIN AND ELIMINATION OF FOULING IN A GAS PHASE POLYMERISATION REACTOR POLYMER INSTITUTE BRNO, SPOL. S.R.O. (CZ) 2015-02-19 WO claimed
EP-2096137-B1 NOVEL POLYOLEFIN RESIN COMPOSITION AND MOLDED RESIN OBTAINED THEREFROM NEW JAPAN CHEM CO LTD (JP) 2011-09-14 EP disclosed
US-20100016491-A1 NOVEL POLYOLEFIN RESIN COMPOSITION AND MOLDED RESIN OBTAINED THEREFROM NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2096137-A1 NOVEL POLYOLEFIN RESIN COMPOSITION AND MOLDED RESIN OBTAINED THEREFROM New Japan Chemical Co., Ltd. (JP) 2009-09-02 EP disclosed