SCHEMBL14780445

SCHEMBL14780445

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 3/20 0.58
TSHR P16473 1/20 0.58
CYP3A4 P08684 1/20 0.58
RHOA P61586 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 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
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 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
SCHEMBL14780440 0.86 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRCYP3A4RHOA
SCHEMBL6870531 0.85 CYP3A4 (0.70) ALDH1A1HSD17B10TSHRCYP3A4RHOA
SCHEMBL8041829 0.85 CYP3A4 (0.73) ALDH1A1HSD17B10TSHRCYP3A4RHOA
SCHEMBL8765881 0.84 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4RHOA
SCHEMBL5339693 0.81 ALDH1A1 (0.77) ALDH1A1HSD17B10TSHRCYP3A4RHOA
SCHEMBL8991912 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4RHOA
SCHEMBL2361415 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4NPC1
SCHEMBL8992671 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4RHOA
SCHEMBL8788430 0.77 TSHR (0.61) ALDH1A1HSD17B10TSHRCYP3A4RHOA
SCHEMBL8787505 0.76 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRCYP3A4NPC1

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 4 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 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