SCHEMBL1300539

SCHEMBL1300539

CCC(N)(CCCC(=O)O)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
CYP1A2 P05177 1/20 0.77
THRB P10828 1/20 0.77
ARG1 P05089 1/20 0.59
ARG2 P78540 1/20 0.59
AKR1B1 P15121 1/20 0.43
ODC1 P11926 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 2/20 0.41

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
SCHEMBL1308931 0.87 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL5485081 0.87 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL179812 0.87 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL1300786 0.86 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL6666220 0.83 ARG2 (0.63) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL7465019 0.83 ARG2 (0.63) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL4884643 0.81 ODC1 (0.64) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL8842963 0.81 ARG2 (0.67) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL4884638 0.81 ODC1 (0.64) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL4884641 0.81 ODC1 (0.64) ALDH1A1MEN1KMT2ACYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
EP-2563926-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE Genomatica, Inc. (US) 2013-03-06 EP disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
WO-2011137198-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE GENOMATICA, INC. (US) 2011-11-03 WO disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed