SCHEMBL9016247

SCHEMBL9016247

COc1ccc(CCN(Cc2ccccc2)CC(O)COc2ccc(C3CCCCC3)cc2C)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
EBP Q15125 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9016215 0.86 MEN1 (0.61) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL9016254 0.78 ADRB2 (0.57) MEN1KMT2AHTR2BKCNH2
SCHEMBL9016218 0.77 POLB (0.55) POLBL3MBTL1MEN1KMT2AHTR2A
SCHEMBL9016222 0.77 KCNH2 (0.61) POLBL3MBTL1MEN1KMT2AHTR2A
SCHEMBL9016240 0.77 MEN1 (0.58) POLBL3MBTL1MEN1KMT2AHTR2A
SCHEMBL11077053 0.76 POLB (0.52) POLBL3MBTL1MEN1KMT2AHTR2A
SCHEMBL9016219 0.76 KCNH2 (0.53) POLBL3MBTL1MEN1KMT2AHTR2A
Methyl Alcohol SCHEMBL11168025 0.75 MEN1 (0.56) POLBL3MBTL1MEN1KMT2AHTR2A
SCHEMBL9016251 0.72 ALDH1A1 (0.56) POLBL3MBTL1MEN1KMT2AHTR2A
SCHEMBL11493647 0.72 POLB (0.42) POLBL3MBTL1MEN1KMT2AHTR2A

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-5482964-A ANTIEPILEPTIC WARNER-LAMBERT COMPANY (US) 1996-01-09 US disclosed