SCHEMBL28829280

SCHEMBL28829280

CCC(Oc1cccc(Cl)c1C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
PPARA Q07869 8/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
LTB4R Q15722 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL31698014 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MRGPRX4PPARAPPARGPPARD
SCHEMBL4370192 0.86 SMN1; SMN2 (0.45) SMN1; SMN2MRGPRX4PPARAPPARGALDH1A1
SCHEMBL8935901 0.86 PPARA (0.51) SMN1; SMN2PPARAPPARGALDH1A1LMNA
SCHEMBL5063037 0.86 PPARA (0.51) SMN1; SMN2PPARAPPARGALDH1A1LMNA
SCHEMBL8935705 0.84 SMN1; SMN2 (0.54) SMN1; SMN2PPARAPPARGPPARDPTGDR2
SCHEMBL8935703 0.84 SMN1; SMN2 (0.54) SMN1; SMN2PPARAPPARGPPARDPTGDR2
SCHEMBL8935688 0.81 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARG
SCHEMBL8935685 0.81 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARG
SCHEMBL6739130 0.80 KMT2A (0.56) SMN1; SMN2MRGPRX4PPARAPPARGPPARD
SCHEMBL31069147 0.80 KMT2A (0.56) SMN1; SMN2MRGPRX4PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116806118-A Method for controlling weed growth and composition comprising herbicidally active compound and thiocyanate compound 马斯特格罗生物制品公司 2023-09-26 CN disclosed
CN-114845553-A Method for weed growth control 马斯特格罗生物制品公司 2022-08-02 CN disclosed