4-Chloro-Benzoic Acid

4-Chloro-Benzoic Acid

SCHEMBL9194331

C=C.O=C(O)c1ccc(Cl)cc1

nearest known ligand 0.90

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.90
ALOX15 P16050 1/20 0.90
SRD5A2 P31213 3/20 0.77
TP53 P04637 1/20 0.63
ALDH1A1 P00352 2/20 0.61
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
NR4A2 P43354 1/20 0.55
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
TYR P14679 1/20 0.52
DRD1 P21728 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52

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 SCHEMBL1331727 0.95 TSHR (1.00) TSHRALOX15SRD5A2TP53ALDH1A1
4-Chloro-Benzoic Acid SCHEMBL28384 0.95 TSHR (1.00) TSHRALOX15SRD5A2TP53ALDH1A1
4-Chloro-Benzoic Acid SCHEMBL2918294 0.92 TSHR (0.94) TSHRALOX15SRD5A2TP53ALDH1A1
4-Chloro-Benzoic Acid SCHEMBL9120766 0.92 TSHR (0.94) TSHRALOX15SRD5A2TP53ALDH1A1
4-Chloro-Benzoic Acid SCHEMBL32665742 0.92 TSHR (0.94) TSHRALOX15SRD5A2TP53ALDH1A1
4-Chloro-Benzoic Acid SCHEMBL9316886 0.92 TSHR (0.94) TSHRALOX15SRD5A2TP53ALDH1A1
4-Chloro-Benzoic Acid SCHEMBL8024007 0.92 TSHR (0.94) TSHRALOX15SRD5A2TP53ALDH1A1
4-Chloro-Benzoic Acid SCHEMBL7634885 0.92 TSHR (0.94) TSHRALOX15SRD5A2TP53ALDH1A1
4-Chloro-Benzoic Acid SCHEMBL9493329 0.92 TSHR (0.94) TSHRALOX15SRD5A2TP53ALDH1A1
4-Chloro-Benzoic Acid SCHEMBL3150134 0.92 TSHR (0.94) TSHRALOX15SRD5A2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484461-A Preparation method of alkynylamide-mediated thioamide and application of thioamide in thiopolypeptide synthesis 江西师范大学 2018-09-04 CN disclosed
EP-0478268-B1 Polymerizable substituted amide compound, polymer obtained therefrom and nonlinear optical material using the same NIPPON PAINT CO LTD (JP) 1995-11-15 EP disclosed
US-5274061-A A 4-nitophenylaminoimido pendant group oriented by an electric field NIPPON PAINT CO., LTD. (JP) 1993-12-28 US disclosed
US-5200552-A POLYMERIZABLE SUBSTITUTED AMIDE COMPOUND, POLYMER OBTAINED THEREFROM AND NONLINEAR OPTICAL MATERIAL USING THE SAME NIPPON PAINT CO., LTD. (JP) 1993-04-06 US disclosed
EP-0478268-A1 Polymerizable substituted amide compound, polymer obtained therefrom and nonlinear optical material using the same Nippon Paint Co., Ltd. (JP) 1992-04-01 EP disclosed