SCHEMBL6508732

SCHEMBL6508732

CCCCOc1c(C)cc(C)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ERN1 O75460 2/20 0.40
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7290764 0.91 SRC (0.47) SRCALDH1A1LMNAKDM4EMAPT
SCHEMBL7679679 0.85 SRC (0.42) SRCALDH1A1LMNAKDM4EMAPT
SCHEMBL17696592 0.84 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EMAPTNPSR1
SCHEMBL30251825 0.83 SRC (0.47) SRCALDH1A1LMNAKDM4EMAPT
SCHEMBL15106618 0.83 SRC (0.44) SRCALDH1A1LMNAKDM4EMAPT
SCHEMBL7284734 0.82 SRC (0.52) SRCALDH1A1LMNAKDM4EMAPT
SCHEMBL11586422 0.82 KMT2A (0.46) ALDH1A1LMNAKDM4EMAPTNPSR1
SCHEMBL7283876 0.80 SRC (0.50) SRCALDH1A1LMNAKDM4ENPSR1
SCHEMBL22897454 0.80 SRC (0.44) SRCALDH1A1LMNAKDM4EMAPT
SCHEMBL5144244 0.77 SRC (0.47) SRCALDH1A1LMNAKDM4EMAPT

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
WO-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 WO disclosed