SCHEMBL1301910

SCHEMBL1301910

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
HIF1A Q16665 2/20 0.54
TSHR P16473 2/20 0.54
CYP2D6 P10635 1/20 0.54
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR3 O14843 2/20 0.35
ALDH1A1 P00352 3/20 0.33
TET2 Q6N021 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL4381836 0.85 TSHR (0.40) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL1301222 0.82 CYP2C19 (0.50) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL503894 0.80 CYP2C19 (0.75) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL14867210 0.80 CYP2C19 (0.75) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL19632900 0.76 CYP2C19 (0.54) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL11964743 0.74 CYP2C19 (0.52) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL18210872 0.74 CYP2C19 (0.65) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL728692 0.72 HMGCR (0.50) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL18538242 0.71 CYP2C19 (0.48) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL18036622 0.71 TSHR (0.48) CYP2C19HIF1ATSHRCYP2D6HMGCR

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