SCHEMBL8885442

SCHEMBL8885442

COc1cc(C(=O)N(C(C)C)C2CCCCC2)ccc1CNc1cccnc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 7/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8883122 0.91 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19GAACYP2C9
SCHEMBL9208140 0.91 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19GAACYP2C9
SCHEMBL9211024 0.80 MEN1 (0.41) CYP1A2CYP3A4CYP2C19GAACYP2C9
SCHEMBL9212851 0.78 POLB (0.41) GAATSHRHDAC6NPSR1MAPT
SCHEMBL9199484 0.78 TSHR (0.44) CYP1A2CYP3A4CYP2C19GAACYP2C9
SCHEMBL9396759 0.78 PDE4D (0.41) CYP1A2CYP3A4CYP2C19GAACYP2C9
SCHEMBL9275055 0.78 HDAC6 (0.38) CYP1A2CYP3A4CYP2C19GAACYP2C9
SCHEMBL9272528 0.78 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19GAACYP2C9
SCHEMBL9278089 0.77 PTAFR (0.42) CYP1A2CYP3A4CYP2C19GAACYP2C9
SCHEMBL9213233 0.77 LMNA (0.43) MAPTPOLBTP53HTT

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-5652363-A TREATING PLATELET ACTIVATING FACTOR MEDIATED DISEASES C.D. SEARLE & CO. (US) 1997-07-29 US disclosed