SCHEMBL8055779

SCHEMBL8055779

N[C@@H](CO)C(=O)NCCOC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
EPHX1 P07099 1/20 0.35
NPC1 O15118 2/20 0.34
METAP2 P50579 1/20 0.34
P2RX7 Q99572 1/20 0.32
REN P00797 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.32
FUCA1 P04066 1/20 0.32
PKM P14618 1/20 0.31
EPHX2 P34913 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NMT2 O60551 2/20 0.31
NMT1 P30419 2/20 0.31
DPP7 Q9UHL4 1/20 0.31
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
TLR2 O60603 1/20 0.31

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
SCHEMBL8055984 0.91 NAAA (0.40) NAAAEPHX1METAP2RENTSHR
SCHEMBL8043089 0.90 METAP2 (0.40) NAAAEPHX1METAP2RENTSHR
SCHEMBL10431764 0.76 EPHX1 (0.50) EPHX1NPC1METAP2RENRAB9A
SCHEMBL18820823 0.75 DPP7 (0.39) CA2FUCA1DPP7TLR2
SCHEMBL22132035 0.74 EPHX1 (0.44) NAAAEPHX1NPC1TSHREPHX2
SCHEMBL8055782 0.73 NPC1 (0.34) NAAAEPHX1NPC1
SCHEMBL249891 0.73 METAP2 (0.48) EPHX1METAP2RENNMT2NMT1
SCHEMBL9425211 0.73 METAP2 (0.48) EPHX1METAP2RENNMT2NMT1
SCHEMBL8056055 0.73 METAP2 (0.48) EPHX1METAP2RENNMT2NMT1
SCHEMBL12313868 0.72 DPP7 (0.41) TSHRCA2SMN1; SMN2DPP7TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114534-A REACTING A KETONE DERIVATIVE OF CARBAMOYL SUBSTITUTED HETEROCYCLE WITH PHOSPHORANE, FOLLOWED BY ACIDIFICATION TO FORM AN ANTICOAGULANT ELI LILLY AND COMPANY (US) 2000-09-05 US disclosed
US-6075147-A OMEGA-PHENYL-OMEGA-(3-PYRIDYL)-OMEGA-ALKENOIC ACID DERIVATIVES BEARING A CARBAMOYL SUBSTITUTED OXAZOLYL OR OXAZOLINYL GROUP ON THE PHENYL RING IS USEFUL FOR THROMBOXANE RECEPTOR ANTAGONSIM OR THROMBOXANE SYNTHASE INHIBITOR ELI LILLY AND COMPANY (US) 2000-06-13 US disclosed
US-6031095-A Intermediates in the preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-5990308-A Intermediates in the preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1999-11-23 US disclosed
US-5849922-A Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-12-15 US disclosed
US-5849766-A Carbamoyl substituted heterocycles ELI LILLY AND COMPANY (US) 1998-12-15 US disclosed
EP-0816361-A2 Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0811621-A2 Carbamoyl substituted oxazoles as thromboxane receptor antagonists ELI LILLY AND COMPANY (US) 1997-12-10 EP disclosed