SCHEMBL9356142

SCHEMBL9356142

C[Si](C)(O[Si](C)(O[Si](C)(C)C(CNCCN)Cc1ccccc1)C(CNCCN)Cc1ccccc1)C(CNCCN)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.36
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
SCN4A P35499 2/20 0.34
SIGMAR1 Q99720 6/20 0.33
SLC6A2 P23975 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL819854 0.86 MMP2 (0.38) MMP2ALDH1A1EPHX1SCN4ASIGMAR1
SCHEMBL37759 0.79 ALDH1A1 (0.38) MMP2ALDH1A1EPHX1SIGMAR1SLC6A2
SCHEMBL339626 0.77 SIGMAR1 (0.36) MMP2ALDH1A1SIGMAR1SLC6A2TAAR1
SCHEMBL366500 0.73 CHRNB2 (0.35) MMP2SIGMAR1
SCHEMBL11229724 0.71 EPHX1 (0.43) MMP2EPHX1SIGMAR1SLC6A2TAAR1
SCHEMBL447452 0.69 ALDH1A1 (0.40) MMP2ALDH1A1SIGMAR1SLC6A2TAAR1
SCHEMBL367238 0.69 CHRNB2 (0.38) MMP2SIGMAR1
SCHEMBL5099372 0.68 MMP2 (0.44) MMP2EPHX1
SCHEMBL18528703 0.68 ALDH1A1 (0.38) MMP2ALDH1A1EPHX1SIGMAR1SLC6A2
SCHEMBL8523012 0.68 ALDH1A1 (0.38) MMP2ALDH1A1EPHX1SIGMAR1SLC6A2

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-0254556-B1 Semipermeable thin-film membranes comprising siloxane, alkoxysilyl and aryloxysilyl oligomers and copolymers BEND RES INC (US) 1994-11-17 EP disclosed
US-4781733-A GAS SEPARATION, POLYCONDENSATION OF POLYFUNCTIONAL COMPOUNDS BEND RESEARCH, INC. (US) 1988-11-01 US disclosed
EP-0254556-A2 Semipermeable thin-film membranes comprising siloxane, alkoxysilyl and aryloxysilyl oligomers and copolymers BEND RESEARCH, INC. (US) 1988-01-27 EP disclosed