SCHEMBL23514841

SCHEMBL23514841

CCOC(=O)c1ccc(OC2CC(CC)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
EPHX2 P34913 2/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
STS P08842 1/20 0.49
RAB9A P51151 1/20 0.46
HPGD P15428 5/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRSS1 P07477 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
SCHEMBL23515189 0.87 LMNA (0.54) LMNACYP1A2CYP3A4MAOAEPHX2
SCHEMBL11756971 0.86 LMNA (0.61) LMNACYP1A2CYP3A4MAOAEPHX2
SCHEMBL26933474 0.85 LMNA (0.57) LMNACYP1A2CYP3A4MAOAEPHX2
SCHEMBL26933468 0.85 LMNA (0.57) LMNACYP1A2CYP3A4MAOAEPHX2
SCHEMBL23514842 0.84 EPHX2 (0.47) LMNACYP1A2CYP3A4MAOAEPHX2
SCHEMBL11758763 0.82 PARP10 (0.59) LMNACYP1A2CYP3A4MAOAEPHX2
SCHEMBL15994441 0.81 LMNA (0.54) LMNACYP1A2CYP3A4MAOAEPHX2
SCHEMBL3910337 0.81 SCN1A (0.58) LMNACYP1A2CYP3A4MAOAEPHX2
SCHEMBL23515035 0.80 CASR (0.49) LMNACYP1A2CYP3A4MAOAEPHX2
SCHEMBL237386 0.79 LMNA (0.57) LMNACYP1A2CYP3A4MAOAEPHX2

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-2021115560-A1 NEW FYN AND VEGFR2 KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2021-06-17 WO disclosed