Trichloroacetic Acid

Trichloroacetic Acid

SCHEMBL9730870

CN(C)C(=O)NOc1cc(Cl)ccc1Cl.O=C(O)C(Cl)(Cl)Cl

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
APEX1 P27695 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
P2RY1 P47900 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RHEB Q15382 1/20 0.34

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
SCHEMBL9731148 0.92 APEX1 (0.45) KMT2AMEN1APEX1TSHRALDH1A1
SCHEMBL9731432 0.79 PKM (0.51) KMT2AMEN1ALDH1A1KDM4EP2RY1
Trichloroacetic Acid SCHEMBL9731226 0.77 TSHR (0.36) KMT2AMEN1APEX1TSHRALDH1A1
SCHEMBL10486979 0.73 ALDH1A1 (0.47) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL9674668 0.71 HTT (0.44) KMT2AMEN1ALDH1A1KDM4ELMNA
Monuron SCHEMBL163372 0.69 TSHR (0.80) APEX1TSHRALDH1A1SMN1; SMN2
SCHEMBL9673561 0.67 THRB (0.51) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL9730741 0.66 TSHR (0.42) APEX1TSHRALDH1A1KDM4EGAA
SCHEMBL9730826 0.66 MEN1 (0.42) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL20540420 0.65 MEN1 (0.61) KMT2AMEN1APEX1TSHRALDH1A1

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-5112385-A Useful in rice paddies KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-05-12 US disclosed
US-4968341-A PRE-AND POSTEMERGENCE HERBICIDES KUMIAI CHEMICAL INDUSTRY CO. (JP) 1990-11-06 US disclosed
EP-0183174-B1 SUBSTITUTED PHENOXY UREA, PROCESSES FOR ITS PREPARATION AND HERBICIDE CONTAINING IT AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-10-26 EP disclosed
EP-0183174-A2 Substituted phenoxy urea, processes for its preparation and herbicide containing it as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1986-06-04 EP disclosed