SCHEMBL14780442

SCHEMBL14780442

C=CCOC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
LMNA P02545 4/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 1/20 0.55
CYP3A4 P08684 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
P2RX1 P51575 1/20 0.49
HTT P42858 1/20 0.48
SRD5A2 P31213 1/20 0.48
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
HSP90AA1 P07900 1/20 0.47
XBP1 P17861 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7663441 0.87 CES2 (0.59) CES2LMNARAB9AMAPK1MEN1
SCHEMBL14780512 0.87 CYP3A4 (0.49) CES2LMNARAB9AMAPK1CYP3A4
SCHEMBL14780526 0.86 CES2 (0.48) CES2LMNARAB9AMAPK1CYP3A4
SCHEMBL157805 0.85 CYP3A4 (0.61) LMNARAB9AMAPK1CYP3A4MEN1
SCHEMBL16372021 0.85 CYP3A4 (0.61) LMNARAB9AMAPK1CYP3A4MEN1
SCHEMBL29078135 0.85 CYP3A4 (0.51) LMNARAB9AMAPK1CYP3A4MEN1
SCHEMBL24370132 0.85 CES2 (0.53) CES2LMNARAB9ACYP3A4MEN1
Benzene SCHEMBL29140663 0.84 CYP3A4 (0.59) LMNARAB9AMAPK1CYP3A4MEN1
SCHEMBL28740076 0.83 SNCA (0.57) CES2LMNARAB9AMAPK1CYP3A4
SCHEMBL9576387 0.82 CYP3A4 (0.58) MAPK1CYP3A4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040268-B2 Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA, INC. (US) 2015-05-26 US claimed
EP-2758540-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS Coskata Energy Inc. (US) 2014-07-30 EP claimed
WO-2013043513-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-28 WO claimed
US-20130071897-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-21 US claimed
US-9040268-B2 Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA, INC. (US) 2015-05-26 US disclosed
EP-2758540-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS Coskata Energy Inc. (US) 2014-07-30 EP disclosed
WO-2013043513-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-28 WO disclosed
US-20130071897-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS COSKATA, INC. (US) 2013-03-21 US disclosed