4-Chloro-Benzoic Acid

4-Chloro-Benzoic Acid

SCHEMBL9316624

O=C([O-])c1ccc(Cl)cc1.O=C([O-])c1ccc(Cl)cc1.S=C(NC1CCCCC1)c1ccccc1.[Cu+2]

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
EPHX1 P07099 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
4-Chloro-Benzoic Acid SCHEMBL9317287 0.97 RAB9A (0.51) RAB9ANPC1ALDH1A1MEN1KMT2A
4-Chloro-Benzoic Acid SCHEMBL9316619 0.87 RAB9A (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
4-Chloro-Benzoic Acid SCHEMBL9317283 0.87 RAB9A (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL9317294 0.81 RAB9A (0.63) RAB9ANPC1ALDH1A1MEN1KMT2A
4-Chloro-Benzoic Acid SCHEMBL9317412 0.76 CA2 (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
4-Chloro-Benzoic Acid SCHEMBL9317100 0.73 CA2 (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL28975687 0.72 RAB9A (0.51) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL8303337 0.72 EPHX1 (0.77) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL14865782 0.72 EPHX1 (0.76) RAB9ANPC1ALDH1A1MEN1KMT2A
4-Chloro-Benzoic Acid SCHEMBL9470023 0.70 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354514-A Heating mixture of thioamide compound and copper- or lead-containing compound JUJO PAPER CO., LTD. (JP) 1994-10-11 US disclosed