SCHEMBL2846809

SCHEMBL2846809

Cc1cc(C)c(Oc2ccc(C(=O)O)cc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.51
LPAR5 Q9H1C0 3/20 0.51
RXRA P19793 3/20 0.50
RXRB P28702 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
SRD5A2 P31213 3/20 0.49
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RXRG P48443 1/20 0.46
AMY1A P0DUB6 1/20 0.46
KMT2A Q03164 1/20 0.46
GFER P55789 1/20 0.46
TPMT P51580 1/20 0.45

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
SCHEMBL24413704 0.87 KDM4E (0.58) LPAR1LPAR5RXRARXRBCA1
SCHEMBL30498840 0.86 HPGD (0.52) LPAR1LPAR5RXRARXRBCA1
SCHEMBL16343624 0.85 ELANE (0.53) LPAR1LPAR5ALDH1A1SRD5A2
SCHEMBL5582339 0.85 LPAR1 (0.48) LPAR1LPAR5RXRARXRBCA1
SCHEMBL5581616 0.85 SRD5A2 (0.57) LPAR1LPAR5RXRARXRBCA1
SCHEMBL14892091 0.84 PARP10 (0.60) CA1CA2ALDH1A1PARP15PARP10
SCHEMBL10685959 0.84 LPAR1 (0.68) LPAR1LPAR5RXRACA1CA2
SCHEMBL5581716 0.83 KMT2A (0.49) LPAR1LPAR5RXRARXRBCA1
SCHEMBL15011469 0.81 RXRA (0.58) RXRARXRBCA1CA2ALDH1A1
SCHEMBL5581391 0.80 NPC1 (0.48) LPAR1LPAR5RXRARXRBCA1

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
US-9216949-B2 Ketoxime- and amide-functionalized nanomaterials THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2015-12-22 US disclosed
US-20150011794-A1 KETOXIME- AND AMIDE-FUNCTIONALIZED NANOMATERIALS GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2015-01-08 US disclosed
US-8389619-B1 In-situ nanocomposites from polymerization of an aryloxybenzoic acid in the presence of detonation nanodiamond THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2013-03-05 US disclosed
US-7732642-B1 Arylcarbonylated detonation nanodiamonds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2010-06-08 US disclosed
US-7005550-B1 Arylcarbonylated vapor-grown carbon nanofibers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2006-02-28 US disclosed