SCHEMBL9526496

SCHEMBL9526496

CCOC(=O)/C=C/C=C/c1ccccc1CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
MAOB P27338 2/20 0.35
MAPT P10636 3/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MDM4 O15151 1/20 0.33
LMNA P02545 1/20 0.33
MDM2 Q00987 1/20 0.33
BACE1 P56817 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PPARG P37231 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
SCHEMBL9526448 0.94 KDM4E (0.39) KDM4EALDH1A1HPGDSMN1; SMN2PTGER4
SCHEMBL9529516 0.84 MAPT (0.45) ALDH1A1MAPTNPC1RAB9AMDM4
SCHEMBL9529713 0.84 CDK4 (0.34) SMN1; SMN2PTGER4PTGER3PTGER2BACE1
SCHEMBL9524689 0.83 BACE1 (0.30) PTGER4PTGER3PTGER2BACE1PPARG
SCHEMBL24352133 0.80 THRA (0.45) PTGER4PTGER3PTGER2MAOBMAPT
SCHEMBL29964004 0.80 THRA (0.45) PTGER4PTGER3PTGER2MAOBMAPT
SCHEMBL29689139 0.79 MAPT (0.53) ALDH1A1MAPTNPC1RAB9AMDM4
SCHEMBL29113309 0.79 MAPT (0.53) ALDH1A1MAPTNPC1RAB9AMDM4
SCHEMBL29113341 0.79 MAPT (0.53) ALDH1A1MAPTNPC1RAB9AMDM4
SCHEMBL29113313 0.79 MAPT (0.53) ALDH1A1MAPTNPC1RAB9AMDM4

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-0419610-B1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-15 EP disclosed
EP-0419610-A1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS. SCHERING AG (DE) 1991-04-03 EP disclosed
WO-1990011271-A1 NEW LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-10-04 WO disclosed