SCHEMBL1301353

SCHEMBL1301353

CCC(N)(CC(C)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
ARG1 P05089 2/20 0.42
ARG2 P78540 2/20 0.42
GABRR1 P24046 2/20 0.40
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
ENPEP Q07075 2/20 0.35
ACE2 Q9BYF1 1/20 0.33
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
LTA4H P09960 1/20 0.32

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
SCHEMBL1301385 0.84 CYP1A2 (0.41) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL7234392 0.83 GABRR1 (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL7226602 0.83 GABRR1 (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL7226603 0.83 GABRR1 (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL563056 0.83 CYP1A2 (0.52) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL3383450 0.83 CYP1A2 (0.52) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL13540752 0.77 GABRR1 (0.41) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL58260 0.77
SCHEMBL7386541 0.76 GABRR1 (0.44) CYP1A2GABRR1FOLH1NAALAD2ENPEP
Hydrochloric Acid SCHEMBL1133986 0.74 MEN1 (0.62) CYP1A2MEN1ALDH1A1THRBKMT2A

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