SCHEMBL8685502

SCHEMBL8685502

CC(C)(C)CNc1ccc(Cl)cc1C(O)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.38
FDFT1 P37268 4/20 0.37
ACP3 P15309 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
MDM2 Q00987 1/20 0.35
FADS1 O60427 1/20 0.35
POLB P06746 1/20 0.34
G6PD P11413 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL8118267 0.85 FDFT1 (0.48) FDFT1
SCHEMBL13776051 0.82 KMT2A (0.40) KMT2ATSHRACP3GAAMEN1
SCHEMBL8110836 0.82 FDFT1 (0.46) FDFT1
SCHEMBL8319522 0.81 TSHR (0.35) KMT2ATSHRFDFT1GAAMEN1
SCHEMBL8688808 0.79 KMT2A (0.38) KMT2ATSHRGAAADRA2AADRA2B
SCHEMBL8102417 0.78 FDFT1 (0.49) KMT2AFDFT1MEN1
SCHEMBL13776424 0.77 HSP90AA1 (0.43) KMT2AFDFT1MEN1RAB9APOLB
SCHEMBL7237652 0.77 FDFT1 (0.50) FDFT1POLB
SCHEMBL4121438 0.77 MEN1 (0.46) KMT2AACP3MEN1RAB9APOLB
SCHEMBL4292426 0.77 SGMS2 (0.43) KMT2AFDFT1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770594-A ANTICHOLESTEROL AGENTS, INHIBITORS OF CHOLESTEROL SYNTHESIS PFIZER INC. (US) 1998-06-23 US disclosed
WO-1996020184-A1 NAPHTHYL-BENZOXAZEPINES OR -BENZOTHIAZEPINES AS SQUALENE SYNTHETASE INHIBITORS PFIZER INC. (US) 1996-07-04 WO disclosed