SCHEMBL9526448

SCHEMBL9526448

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BACE1 P56817 1/20 0.36
ALOX5 P09917 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 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
SCHEMBL9526496 0.94 KDM4E (0.35) KDM4EALDH1A1HPGDSMN1; SMN2PTGER4
SCHEMBL9529516 0.86 MAPT (0.45) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL305026 0.85 BACE1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL29113309 0.81 MAPT (0.53) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL9526961 0.81 PTGER4 (0.31) SMN1; SMN2PTGER4PTGER3PTGER2BACE1
SCHEMBL29113341 0.81 MAPT (0.53) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL29688905 0.81 MAPT (0.53) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL29689139 0.81 MAPT (0.53) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL29113316 0.81 MAPT (0.53) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL29113343 0.81 MAPT (0.53) ALDH1A1NPC1RAB9AMAPTLMNA

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