SCHEMBL2733762

SCHEMBL2733762

C=CCNCCCOC(=O)C=C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
TSHR P16473 6/20 0.59
CYP3A4 P08684 2/20 0.59
HPGD P15428 1/20 0.53
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 6/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL278176 0.89 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL21723723 0.81 KDM4E (0.41) ALDH1A1TSHRCYP3A4KDM4EGAA
SCHEMBL345430 0.81 TSHR (0.63) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL2518760 0.81 TSHR (0.59) ALDH1A1TSHRCYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL6053194 0.80 TSHR (0.61) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL3287540 0.80 TSHR (0.72) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL344368 0.80 TSHR (0.67) ALDH1A1TSHRCYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL9139244 0.80 TSHR (0.57) ALDH1A1TSHRCYP3A4HPGDTP53
SCHEMBL15440833 0.79 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4KDM4EGAA
SCHEMBL11497594 0.79 TSHR (0.65) ALDH1A1TSHRCYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110062377-A1 Clarification of water and wastewater CLEARVALUE TECHNOLOGIES, INC. (US) 2011-03-17 US disclosed