SCHEMBL10344600

SCHEMBL10344600

CC(F)(Oc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.48
TTR P02766 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PPARA Q07869 1/20 0.44
MRGPRX4 Q96LA9 4/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL11176467 0.86 TSHR (0.51) TDP1TSHRMAPTKMT2ACYP1A2
SCHEMBL11175957 0.84 MAPT (0.47) TDP1TSHRTTRMAPTCYP1A2
SCHEMBL581884 0.83 PPARA (0.59) TDP1TSHRTTRMAPTKMT2A
SCHEMBL30490487 0.78 TDP1 (0.50) TDP1TSHRTTRMAPTCYP1A2
SCHEMBL29254277 0.78 TDP1 (0.46) TDP1TSHRTTRMAPTKMT2A
SCHEMBL11183902 0.78 SMN1; SMN2 (0.40) TDP1TSHRKMT2ACYP1A2CYP2C19
SCHEMBL11350932 0.77 TDP1 (0.42) TDP1TSHRTTRMAPTKMT2A
SCHEMBL9852618 0.77 MRGPRX4 (0.49) TDP1TSHRTTRMAPTKMT2A
SCHEMBL13876906 0.77 SLC6A2 (0.48) TDP1TSHRTTRMAPTKMT2A
SCHEMBL10874937 0.76 TDP1 (0.51) TDP1TSHRTTRMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044979-B1 DERIVATIVES OF 2-FLUORO-ALKANECARBOXYLIC ACIDS, THEIR PREPARATION, HERBICIDES COMPRISING THEM AND THEIR APPLICATION BASF Aktiengesellschaft (DE) 1983-11-02 EP claimed
EP-0044979-A1 Derivatives of 2-fluoro-alkanecarboxylic acids, their preparation, herbicides comprising them and their application BASF Aktiengesellschaft (DE) 1982-02-03 EP claimed
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
US-4726837-A Use of 4H-pyrido[2,3-d][1,3]oxazin-4-one derivatives for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed
US-4715889-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-12-29 US disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP disclosed
EP-0115808-B1 CYCLOHEXAN-1,3-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1986-08-20 EP disclosed
EP-0104389-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE CONTROL OF UNDESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1986-07-16 EP disclosed
US-4585881-A 2,5-dihydro-5-aryliminopyrrole derivatives and their preparation BASF AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed
EP-0170203-A2 4H-Pyrido(2,3-d)(1,3)oxazin-4-one derivatives, process for their preparation, and their use for combating undesired vegetation BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed
EP-0115808-A1 Cyclohexan-1,3-dione derivatives, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-08-15 EP disclosed
EP-0104389-A2 Quinoline derivatives, process for their preparation and their use in the control of undesired plant growth BASF Aktiengesellschaft (DE) 1984-04-04 EP disclosed
EP-0044979-B1 DERIVATIVES OF 2-FLUORO-ALKANECARBOXYLIC ACIDS, THEIR PREPARATION, HERBICIDES COMPRISING THEM AND THEIR APPLICATION BASF Aktiengesellschaft (DE) 1983-11-02 EP disclosed
EP-0044979-A1 Derivatives of 2-fluoro-alkanecarboxylic acids, their preparation, herbicides comprising them and their application BASF Aktiengesellschaft (DE) 1982-02-03 EP disclosed