SCHEMBL8201328

SCHEMBL8201328

COCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.59
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.54
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1I2 O75469 1/20 0.40
NLRP3 Q96P20 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
THRB P10828 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PAX8 Q06710 3/20 0.35
HTT P42858 2/20 0.35
JAK2 O60674 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
SCHEMBL11099540 0.88 TP53 (0.58) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL11795191 0.88 TP53 (0.44) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL8038076 0.87 TP53 (0.70) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL10622917 0.87 TP53 (0.59) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL9613901 0.87 TP53 (0.43) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL11402728 0.86 TP53 (0.78) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL10885330 0.85 ALDH1A1 (0.51) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL29634930 0.83 TDP1 (0.65) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL135983 0.83 TDP1 (0.65) TP53ALDH1A1TDP1CYP3A4MEN1
SCHEMBL8534756 0.83 TDP1 (0.65) TP53ALDH1A1TDP1CYP3A4MEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US claimed
EP-1051070-A1 WATER-DISPERSIBLE FLAKE COMPOSITIONS ZENECA LIMITED (GB) 2000-11-15 EP disclosed
WO-1999039577-A1 WATER-DISPERSIBLE FLAKE COMPOSITIONS ZENECA LIMITED (GB) 1999-08-12 WO disclosed
US-5354742-A Aggregation of spherical microcapsules containing water insoluble pesticide encapsulated in polymeric shell wall, adjuvants, moisture MONSANTO COMPANY (US) 1994-10-11 US disclosed
US-5321000-A Benzhydryl compounds as herbicide antidotes MONSANTO COMPANY (US) 1994-06-14 US disclosed
EP-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP disclosed
US-5162537-A To safen acetamide herbicids used to control grassy and broadleaf weeds in rice, sorghum and wheat MONSANTO COMPANY (US) 1992-11-10 US disclosed
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936901-A Formulations of water-dispersible granules and process for preparation thereof MONSANTO COMPANY (US) 1990-06-26 US disclosed
US-4563212-A MICROCAPSULES CONTAINING AGRICULTURAL CHEMICALS MONSANTO COMPANY (US) 1986-01-07 US disclosed
EP-0165227-A2 High concentration encapsulation by interfacial polycondensation MONSANTO COMPANY (US) 1985-12-18 EP disclosed
US-4534783-A CAPSULES OF POLYUREA, POLYAMIDE, POLYESTER OR POLYURETHANE; HERBICIDES, INSECTICIDES MONSANTO CO. (US) 1985-08-13 US disclosed
EP-0148149-A2 High concentration encapsulation by interfacial polycondensation Monsanto Company (US) 1985-07-10 EP disclosed
EP-0148169-A2 High concentration encapsulation of water soluble-materials Monsanto Company (US) 1985-07-10 EP disclosed
US-4417916-A POLYMETHYLENEPOLYPHENYLENE POLYISOCYANATE, POLYUREA, LIGNIN MONSANTO COMPANY (US) 1983-11-29 US disclosed
US-4373945-A Herbicidal agents based on acetanilides BASF AKTIENGESELLSCHAFT (DE) 1983-02-15 US disclosed
US-4300945-A Synergistic herbicidal compositions STAUFFER CHEMICAL COMPANY (US) 1981-11-17 US disclosed
US-4277278-A SYNERGISTIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 1981-07-07 US disclosed
EP-0007575-A1 Herbicidal compositions based on acetanilides and their use in combating undesired plant growth BASF Aktiengesellschaft (DE) 1980-02-06 EP disclosed