SCHEMBL11047115

SCHEMBL11047115

C=CCC(C=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
ADRA2C P18825 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL28227421 0.81 TP53 (0.44) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL9447753 0.79 TP53 (0.47) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL28247019 0.79 LMNA (0.43) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL5006016 0.77 LMNA (0.44) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL29159429 0.77 LMNA (0.44) LMNAMEN1KMT2ATP53HTT
SCHEMBL964885 0.74 CYP2C19 (0.50) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL11449628 0.74 LMNA (0.42) LMNATP53HTTTDP1ALDH1A1
SCHEMBL11849026 0.73 LMNA (0.41) LMNACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL8330368 0.73 ACP3 (0.38) LMNACYP3A4CYP1A2CYP2C19MEN1
SCHEMBL23619853 0.73 LMNA (0.45) LMNAMEN1KMT2ATP53HTT

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
EP-0117578-A2 Azole-substituted alcohol derivatives SHIONOGI & CO., LTD. (JP) 1984-09-05 EP disclosed