SCHEMBL9825542

SCHEMBL9825542

COC(=O)COc1ccc(C(C)CN2CCOC(c3csc(C(F)(F)F)n3)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX5AP P20292 1/20 0.33
GLA P06280 1/20 0.33
FKBP1A P62942 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
ACACB O00763 2/20 0.32
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 1/20 0.32
MCHR1 Q99705 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CPT2 P23786 1/20 0.31

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
SCHEMBL9826846 0.92 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1HPGDACACB
SCHEMBL9825575 0.92 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1FKBP1A
SCHEMBL9825803 0.91 MCHR1 (0.34) SMN1; SMN2MEN1KMT2AALDH1A1FKBP1A
SCHEMBL9825436 0.91 PIK3CA (0.35) SMN1; SMN2MEN1KMT2AALDH1A1FKBP1A
SCHEMBL9825661 0.89 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL9825332 0.89 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL9826314 0.89 MEN1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL9826520 0.87 CNR2 (0.34) MEN1KMT2AMOGAT2
SCHEMBL9825694 0.87 GAA (0.34) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL9827149 0.87 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MOGAT2NPC1

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
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
EP-0239815-A1 Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-10-07 EP disclosed