SCHEMBL7713028

SCHEMBL7713028

CCOC(=O)/C(O)=C/C#N.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 1/20 0.47
CYP2C9 P11712 1/20 0.44
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GLO1 Q04760 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTP4A1 Q93096 1/20 0.36
MIF P14174 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 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
SCHEMBL4467396 1.00 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL4467394 1.00 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL2776279 0.98 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL3646769 0.98 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL4127238 0.98 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL28924391 0.96 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL30271748 0.96 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL29137403 0.78 NPSR1 (0.47) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL12364286 0.78 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL6735624 0.78 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9MEN1KMT2A

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-6372774-B1 THESE COMPOUNDS POSSESS ARTHROPODICIDAL, PLANT NEMATOCIDAL, ANTHELMINTIC AND ANTI-PROTOZOAL PROPERTIES RHONE-POULENC AGRICULTURE LTD. (GB) 2002-04-16 US disclosed
EP-0967206-A1 Derivatives of N-phenylpyrazoles RHONE POULENC AGRICULTURE LTD. (GB) 1999-12-29 EP disclosed
US-5916618-A PESTICIDE FOR MEDICATED FEEDSTUFF, DIETARY CONCENTRATE OR SUPPLEMENT RHONE-POULENC AGRICULTURE LTD. (GB) 1999-06-29 US disclosed
US-5714191-A PESTICIDES USED IN MEDICATED FEEDSTUFF, MINERAL SALT LICK OR EDIBLE BAIT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-02-03 US disclosed
US-5608077-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS RHONE-POULENC AGRICULTURE LTD. (GB) 1997-03-04 US disclosed
US-5547974-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS RHONE-POULENC AGRICULTURE LTD. (GB) 1996-08-20 US disclosed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US disclosed
EP-0295117-A1 Derivatives of N-phenylpyrazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-12-14 EP disclosed