SCHEMBL9347255

SCHEMBL9347255

CC(C)(C)[Si](OCc1ccc(SSc2ccc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AGXT P21549 2/20 0.32
SMYD2 Q9NRG4 2/20 0.32
IDO1 P14902 1/20 0.32
PPARG P37231 2/20 0.31
TSHR P16473 1/20 0.31
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30

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
SCHEMBL9347262 0.88 CYP3A4 (0.33) SMN1; SMN2CYP3A4HTTAGXTSMYD2
SCHEMBL1314001 0.87 AGXT (0.42) SMN1; SMN2CYP3A4HTTMAPTAGXT
SCHEMBL14542685 0.84 AGXT (0.43) SMN1; SMN2CYP3A4HTTMAPTAGXT
SCHEMBL11934179 0.84 TP53 (0.42) SMN1; SMN2CYP3A4HTTMAPTAGXT
SCHEMBL9347235 0.84 ESR1 (0.43) CYP3A4MAPTIDO1PPARG
SCHEMBL2745018 0.83 PPARG (0.41) PPARGTSHR
SCHEMBL4587307 0.83 IDO1 (0.42) SMN1; SMN2HTTHPGDIDO1TSHR
SCHEMBL9347236 0.83 AGXT (0.33) SMN1; SMN2CYP3A4HTTAGXTSMYD2
SCHEMBL222047 0.83 MAOB (0.43) SMN1; SMN2MAPTAGXTIDO1
SCHEMBL14546351 0.81 SIGMAR1 (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236880-B1 Penem derivatives ERBA CARLO SPA (IT) 1994-07-20 EP disclosed
US-4886793-A PENICILLINS; HUMANS OR ANIMALS FARMITALIA CARLO ERBA, S.R.L. (IT) 1989-12-12 US disclosed
EP-0236880-A2 Penem derivatives FARMITALIA CARLO ERBA S.r.l. (IT) 1987-09-16 EP disclosed