SCHEMBL30954744

SCHEMBL30954744

O=C1CCC2(CC1)COc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.40
AVPR1A P37288 1/20 0.39
SCD O00767 2/20 0.35
NPY5R Q15761 1/20 0.34
S1PR5 Q9H228 3/20 0.34
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL8359869 1.00 TNKS (0.46) TNKSTNKS2MEN1CYP2C9KMT2A
SCHEMBL21029007 0.85 TNKS (0.43) TNKSTNKS2IDO1AVPR1ASCD
SCHEMBL30079574 0.85 TNKS (0.43) TNKSTNKS2IDO1AVPR1ASCD
SCHEMBL8353525 0.81 TNKS (0.46) TNKSTNKS2MEN1CYP2C9KMT2A
SCHEMBL15144578 0.79 TNKS (0.43) TNKSTNKS2IDO1AVPR1ASCD
SCHEMBL8354016 0.79 TNKS (0.47) TNKSTNKS2IDO1AVPR1ASCD
SCHEMBL8402825 0.77 CA9 (0.38) TNKSTNKS2MEN1KMT2A
SCHEMBL30954739 0.76 TNKS (0.39) TNKSTNKS2IDO1AVPR1ASCD
SCHEMBL238700 0.76 TNKS (0.41) TNKSTNKS2MEN1CYP2C9KMT2A
SCHEMBL655103 0.76 TNKS (0.41) TNKSTNKS2IDO1AVPR1AOPRM1

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
WO-2024125488-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2024-06-20 WO disclosed