SCHEMBL14780440

SCHEMBL14780440

C=CCOC(=O)c1cccc(C(F)(F)F)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.58
CYP3A4 P08684 1/20 0.58
PTGS1 P23219 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RHOA P61586 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL14780445 0.86 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRCYP3A4LMNA
SCHEMBL14780479 0.85 CYP3A4 (0.70) ALDH1A1HSD17B10TSHRCYP3A4LMNA
SCHEMBL8041829 0.85 CYP3A4 (0.73) ALDH1A1HSD17B10TSHRCYP3A4LMNA
SCHEMBL20471954 0.82 CYP3A4 (0.56) ALDH1A1HSD17B10TSHRCYP3A4LMNA
SCHEMBL11696222 0.81 HSD17B10 (0.55) ALDH1A1HSD17B10TSHRMAPK1RAB9A
SCHEMBL8992671 0.81 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL5339693 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10TSHRCYP3A4LMNA
SCHEMBL8991912 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4LMNA
SCHEMBL8765881 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4MAPK1
SCHEMBL2361415 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4LMNA

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