SCHEMBL9174404

SCHEMBL9174404

Cc1cccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.39
GABRA1 P14867 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA2 P47869 4/20 0.38
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALOX5AP P20292 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8777276 0.83 KCNH2 (0.41) SMN1; SMN2KCNH2CCR1LMNA
SCHEMBL4134240 0.83 KCNH2 (0.38) SMN1; SMN2KCNH2KDM1AMAOAMAOB
SCHEMBL9008955 0.82 TRPV3 (0.43) SMN1; SMN2MEN1KMT2AKCNH2RAB9A
SCHEMBL7467379 0.80 MRGPRX4 (0.49)
SCHEMBL8777267 0.80 KCNH2 (0.35) SMN1; SMN2KCNH2
SCHEMBL4136544 0.79 GRM5 (0.38) SMN1; SMN2KCNH2GABRA1GABRG2GABRB3
SCHEMBL20983501 0.78 CYP3A4 (0.33) SMN1; SMN2
SCHEMBL15968790 0.77 MEN1 (0.39) SMN1; SMN2MEN1OPRM1OPRD1KMT2A
SCHEMBL30505267 0.77 MEN1 (0.39) SMN1; SMN2MEN1OPRM1OPRD1KMT2A
SCHEMBL9008915 0.76 SCN9A (0.39) MEN1KMT2ANPC1RAB9ATGFBR1

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-0656896-A1 NEW LEUKOTRIENE-B4 ANTAGONISTS, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-14 EP disclosed
WO-1994004522-A1 NEW LEUKOTRIENE-B4 ANTAGONISTS, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-03-03 WO disclosed