SCHEMBL8183330

SCHEMBL8183330

CCOC(=O)C(Cl)C(=O)c1ccc(Cl)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL4714984 0.85 KCNQ3 (0.38) KMT2ACYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL7009800 0.84 PIM1 (0.40) MEN1KMT2ATAS1R3TAS1R1CYP1A2
SCHEMBL11371745 0.84 CA12 (0.46) MEN1KMT2ACYP1A2CYP3A4RAB9A
SCHEMBL1965917 0.81 SMN1; SMN2 (0.51) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL1970298 0.79 KMT2A (0.44) MEN1KMT2ACYP1A2CYP3A4SLC6A2
SCHEMBL3258137 0.79 CA12 (0.59) MEN1KMT2ACYP1A2CYP3A4RAB9A
SCHEMBL9221209 0.79 CES2 (0.46) MEN1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL1966435 0.79 SLC6A2 (0.48) MEN1KMT2ACYP2C19SLC6A2SLC6A4
SCHEMBL28578327 0.78 L3MBTL1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL11156933 0.77 KDM4E (0.49) MEN1KMT2ATAS1R3TAS1R1SLC6A2

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-6096689-A AND FOR DESICCATING OR DEFOLIATING PLANTS; APPLYING TO CROPS, IN PARTICULAR, COTTON BASF AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
US-5744426-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
EP-0763025-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-19 EP disclosed
WO-1995033728-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-12-14 WO disclosed