SCHEMBL14780512

SCHEMBL14780512

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
SNCA P37840 1/20 0.43
RHOA P61586 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CES2 O00748 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL14780442 0.87 CES2 (0.56) CYP3A4ALDH1A1LMNARAB9AMAPK1
SCHEMBL14780528 0.84 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL157805 0.84 CYP3A4 (0.61) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL16372021 0.84 CYP3A4 (0.61) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL29078135 0.84 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10LMNA
Benzene SCHEMBL29140663 0.82 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL9576387 0.81 CYP3A4 (0.58) CYP3A4ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL1882737 0.80 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRHSD17B10RAB9A
SCHEMBL6435168 0.80 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRHSD17B10SNCA
SCHEMBL6284521 0.80 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRHSD17B10RAB9A

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