SCHEMBL1301385

SCHEMBL1301385

CCCC(N)(CC(C)C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRR1 P24046 2/20 0.38
ARG1 P05089 4/20 0.36
ARG2 P78540 4/20 0.36
ACE2 Q9BYF1 1/20 0.35
ENPEP Q07075 2/20 0.33
ODC1 P11926 1/20 0.32
FDPS P14324 1/20 0.32
CYP2D6 P10635 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
SCHEMBL1301353 0.84 CYP1A2 (0.48) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL21601792 0.81 CYP1A2 (0.41) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL7226602 0.80 GABRR1 (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL7226603 0.80 GABRR1 (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL7234392 0.80 GABRR1 (0.40) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL348479 0.79 MEN1 (0.54) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL24163861 0.74 MEN1 (0.68) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL6759254 0.74 MEN1 (0.68) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL6759253 0.74 MEN1 (0.68) CYP1A2MEN1ALDH1A1THRBKMT2A
SCHEMBL28308308 0.74 MEN1 (0.42) 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