SCHEMBL6901686

SCHEMBL6901686

NC(CC(=O)O)CC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MAPT P10636 4/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
NR4A2 P43354 1/20 0.52
ALDH1A1 P00352 6/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
LMNA P02545 3/20 0.51
NPC1 O15118 1/20 0.49
GSK3B P49841 2/20 0.48
PTPN1 P18031 2/20 0.48
TRPA1 O75762 1/20 0.48

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
SCHEMBL6744065 0.83 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2HPGD
SCHEMBL9206692 0.83 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2HPGD
SCHEMBL10517046 0.83 TSHR (0.63) TSHRMAPTKMT2ASMN1; SMN2HPGD
SCHEMBL1291550 0.82 NR4A2 (0.57) TSHRMAPTKMT2ASMN1; SMN2HPGD
SCHEMBL6425252 0.81 TSHR (0.61) TSHRMAPTKMT2ASMN1; SMN2HPGD
SCHEMBL2791083 0.79 TSHR (0.64) TSHRMAPTKMT2ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL6421809 0.79 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2HPGD
SCHEMBL2860324 0.79 TSHR (0.64) TSHRMAPTKMT2ASMN1; SMN2HPGD
SCHEMBL7799557 0.79 TSHR (0.64) TSHRMAPTKMT2ASMN1; SMN2HPGD
SCHEMBL16274031 0.79 TSHR (0.59) TSHRMAPTKMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US claimed
US-6692774-B2 FUNGICIDE USED FOR PROTECTING SEEDS, PLANTS AND OTHER VEGETATIVE MATERIAL AGAINST FUNGI AGROGENE LTD. (IL) 2004-02-17 US disclosed
US-20030078301-A1 Synergistic mixtures of selected amino acids AGROGENE LTD (IL) 2003-04-24 US disclosed
US-20030078290-A1 Synergistic mixtures of selected amino acids AGROGENE LTD. (IL) 2003-04-24 US disclosed
US-20020193251-A1 Synergistic mixtures of selected amino acids AGROGENE LTD. (IL) 2002-12-19 US disclosed
US-6414019-B1 FUNGICIDE; MIXTURE OF 3-AMINOBUTYRIC ACID AND MANCOZEB AGROGENE LTD. (IL) 2002-07-02 US disclosed
US-4732898-A HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1988-03-22 US disclosed