SCHEMBL11208129

SCHEMBL11208129

C=CC(C)c1ccccc1N(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
TSPO P30536 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
CYP2C9 P11712 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKT1 P31749 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL78109 0.81 SIGMAR1 (0.42) LMNAMAPTSMN1; SMN2GAATSPO
SCHEMBL7559113 0.76 GABRA1 (0.44) ELANELMNAMAPTSMN1; SMN2HPGD
SCHEMBL204643 0.75 TSHR (0.50) LMNAHPGDALDH1A1TSHRKMT2A
SCHEMBL11790232 0.73 TSPO (0.38) LMNAMAPTSMN1; SMN2GAATSPO
SCHEMBL11483948 0.73 LMNA (0.37) LMNAMAPTSMN1; SMN2GAATSPO
SCHEMBL11478893 0.73 POLB (0.41) LMNASMN1; SMN2HPGDALDH1A1TP53
SCHEMBL27961101 0.73 ALDH1A1 (0.46) ELANELMNAMAPTSMN1; SMN2GAA
SCHEMBL10384846 0.72 LMNA (0.36) LMNAMAPTSMN1; SMN2GAATSPO
SCHEMBL22504351 0.71 MAPT (0.36) ELANEMAPTALDH1A1TP53TSHR
SCHEMBL11511457 0.71 C5AR1 (0.38) SMN1; SMN2HPGDTSHRKMT2AMEN1

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
EP-0012452-B1 PHOSPHORIC ACID ESTERS AND THEIR USE IN PESTICIDAL COMPOSITIONS BAYER AG (DE) 1983-02-09 EP disclosed
EP-0000127-B1 INSECTICIDAL AND ACARICIDAL COMPOSITIONS, THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1982-10-20 EP disclosed
EP-0012452-A2 Phosphoric acid esters and their use in pesticidal compositions BAYER AG (DE) 1980-06-25 EP disclosed
EP-0000127-A1 Insecticidal and acaricidal compositions, their manufacture and their use BAYER AG (DE) 1979-01-10 EP disclosed