SCHEMBL11278409

SCHEMBL11278409

CCC(O)c1cc2ccccc2cc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GPR84 Q9NQS5 1/20 0.40
CYP2D6 P10635 4/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE2A O00408 1/20 0.36
CYP1A2 P05177 3/20 0.36
UGT2B7 P16662 1/20 0.35
AOC3 Q16853 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL11261519 0.85 LMNA (0.52) LMNACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL17268233 0.79 GABRA1 (0.45) GPR84CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9463681 0.77 LMNA (0.48) LMNAPDE2AAOC3TSHR
SCHEMBL430273 0.73 PDE4A (0.46) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29583446 0.73 PDE4A (0.46) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3418792 0.72 CYP2C9 (0.50) LMNASLC6A4KMT2ACYP1A2AOC3
SCHEMBL3929537 0.72 CYP2C9 (0.50) LMNASLC6A4KMT2ACYP1A2AOC3
SCHEMBL22288132 0.71 LMNA (0.42) LMNAGPR84CYP2D6MEN1KMT2A
SCHEMBL5107136 0.71 LMNA (0.61) LMNACYP2D6PDE2AAOC3TSHR
SCHEMBL30172716 0.71 LMNA (0.61) LMNACYP2D6PDE2AAOC3TSHR

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-4351842-A N-Cyclopropylisoindolines GLAXO LABORATORIES LIMITED (GB) 1982-09-28 US disclosed