SCHEMBL12110657

SCHEMBL12110657

CCC(C)C(=O)CCn1c2ccccc2c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 3/20 0.58
▸ FABP5 Q01469 3/20 0.58
▸ FABP3 P05413 1/20 0.58
▸ KDM4E B2RXH2 3/20 0.57
▸ HDAC6 Q9UBN7 4/20 0.54
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ FNTA P49354 3/20 0.48
▸ FNTB P49356 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ TSPO P30536 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43

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
SCHEMBL14417603 0.85 FABP4 (0.64) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL14421423 0.76 FABP4 (0.70) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL573399 0.75 FABP4 (0.58) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL26812854 0.75 MEN1 (0.57) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL150033 0.74 FABP4 (1.00) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL30549325 0.74 FABP4 (1.00) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL27918670 0.74 FABP4 (0.53) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL13325029 0.73 POLB (0.53) KDM4EALDH1A1HPGDTSPOMAPT
SCHEMBL573809 0.73 TSPO (0.71) FABP4FABP5FABP3KDM4EHDAC6
SCHEMBL1128275 0.73 FNTA (0.68) FABP4FABP5FABP3KDM4EHDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053024-B2 Method for manufacturing organic electroluminescent device KONICA MINOLTA HOLDINGS, INC. (JP) 2011-11-08 — — US disclosed
US-20090081357-A1 METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2009-03-26 — — US disclosed
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