SCHEMBL30173708

SCHEMBL30173708

CCC(OC)c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
CRHR1 P34998 1/20 0.46
CYP19A1 P11511 2/20 0.42
CYP2C9 P11712 7/20 0.40
CYP3A4 P08684 5/20 0.40
IDO1 P14902 7/20 0.39
TDO2 P48775 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 4/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C19 P33261 4/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
NR1I2 O75469 2/20 0.38
EGFR P00533 2/20 0.38
NR3C1 P04150 2/20 0.38
ERBB2 P04626 2/20 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
SCHEMBL28264057 0.83 LMNA (0.43) LMNATP53HTTCRHR1CYP19A1
SCHEMBL20888260 0.82 MDM2 (0.40) CRHR1AOC3
SCHEMBL21147867 0.78 CYP2C9 (0.57) LMNATP53HTTCYP19A1CYP2C9
SCHEMBL18827495 0.78 CYP19A1 (0.64) LMNATP53HTTCYP19A1CYP2C9
SCHEMBL23347771 0.77 TP53 (0.44) LMNATP53HTTCRHR1CYP19A1
SCHEMBL23347704 0.77 NISCH (0.42) LMNACYP3A4IDO1TDO2CYP1A2
SCHEMBL16212082 0.76 TP53 (0.55) LMNATP53HTTCYP19A1CYP2C9
SCHEMBL18568287 0.76 LMNA (0.43) LMNATP53HTTIDO1TDO2
SCHEMBL18682098 0.75 HTT (0.46) LMNATP53HTTCRHR1IDO1
SCHEMBL17069233 0.75 HTT (0.46) LMNATP53HTTCRHR1IDO1

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
CN-115515426-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-23 CN disclosed