SCHEMBL9718016

SCHEMBL9718016

CCCC(=O)C1=C(O)CC(C=O)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
FASN P49327 2/20 0.32
HTT P42858 2/20 0.32
HSD17B3 P37058 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX12 P18054 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9718044 0.76 BUB1 (0.45) TSHRMEN1KMT2ASMN1; SMN2FASN
SCHEMBL28689396 0.74 TSHR (0.42) TSHRMEN1KMT2ASMN1; SMN2FASN
SCHEMBL28686165 0.73 TSHR (0.39) TSHRMEN1KMT2ASMN1; SMN2FASN
SCHEMBL10551544 0.73 TSHR (0.37) TSHRMEN1KMT2ASMN1; SMN2HTT
SCHEMBL8853968 0.69 TSHR (0.36) TSHRMEN1KMT2A
SCHEMBL9349889 0.69 MEN1 (0.49) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL10733254 0.69 MEN1 (0.37) TSHRMEN1KMT2ASMN1; SMN2HTT
SCHEMBL10682228 0.69 MEN1 (0.39) TSHRMEN1KMT2ASMN1; SMN2HTT
SCHEMBL10678925 0.69 MEN1 (0.36) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL10683935 0.68 MEN1 (0.38) MEN1KMT2ASMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270002-B1 CYCLOHEXENONE DERIVATIVES BASF Aktiengesellschaft (DE) 1992-04-15 EP disclosed
US-4820331-A HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
EP-0270002-A2 Cyclohexenone derivatives BASF Aktiengesellschaft (DE) 1988-06-08 EP disclosed
US-4744820-A Cyclohexenone derivatives, their manufacture, and their use as agents for regulating plant growth BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed
EP-0233568-A1 Cyclohexenone derivatives, process for their preparation and their application as a substance for the regulation of the growth of plants BASF Aktiengesellschaft (DE) 1987-08-26 EP disclosed