SCHEMBL11517099

SCHEMBL11517099

CC(C)c1ccc2ccccc2c1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNJ11 Q14654 6/20 0.45
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ8 Q15842 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
G6PD P11413 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40

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
SCHEMBL21143063 0.80 ALDH1A1 (0.39) LMNAKMT2ACYP1A2CYP3A4GAA
SCHEMBL6374171 0.80 TSHR (0.48) KMT2ACYP1A2CYP3A4GAACYP2C19
SCHEMBL11116162 0.80 CYP1A2 (0.46) CYP1A2CYP3A4GAAMAPTCYP2C19
SCHEMBL25860107 0.78 ALDH1A1 (0.41) LMNAKMT2ACYP1A2CYP2C19KCNJ11
SCHEMBL8845511 0.77 KMT2A (0.68) LMNAKMT2ASMN1; SMN2SOAT2SOAT1
SCHEMBL11517897 0.77 MEN1 (0.47) KMT2AGAAKCNJ11ABCC9ABCC8
Hydrogen Peroxide SCHEMBL8610670 0.75 TSHR (0.52) CYP1A2CYP3A4GAAMAPTCYP2C19
SCHEMBL248045 0.75 KDM4E (0.53) KMT2ACYP1A2GAACYP2C19NCEH1
SCHEMBL7369757 0.74 MAPT (0.51) KMT2ACYP1A2CYP3A4MAPTCYP2C19
SCHEMBL7372118 0.74 ALDH1A1 (0.50) LMNAKMT2ANCEH1SMN1; SMN2

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-4158051-A DIMETHYL DIBROMODICHLOROETHYL PHOSPHATE, NONVOLATILE CARBAMATE A. H. ROBINS COMPANY, INC. (US) 1979-06-12 US disclosed