SCHEMBL1716623

SCHEMBL1716623

CCCCCCCCSCc1cc(C)c(O)c(CSCCCCCCCC)c1.CCCCCCCCSCc1cc(CSCCCCCCCC)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.43
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HIF1A Q16665 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
GABBR2 O75899 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 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
SCHEMBL39380 0.94 HSPA5 (0.48) HSPA5CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL1275458 0.94 HSPA5 (0.48) HSPA5CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL1275495 0.94 HSPA5 (0.48) HSPA5CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL1274553 0.94 HSPA5 (0.48) HSPA5CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL1274589 0.94 HSPA5 (0.48) HSPA5CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL1274849 0.94 HSPA5 (0.48) HSPA5CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL1275461 0.94 HSPA5 (0.48) HSPA5CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL1275511 0.94 HSPA5 (0.48) HSPA5CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL9459252 0.91 CYP1A2 (0.42) HSPA5CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL6057474 0.90 SHBG (0.40) CYP2C9CYP1A2GMNNTP53BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096803-A Method for stabilizing organic materials using a stabilizer mixture 巴斯夫欧洲公司 2023-05-09 CN disclosed
EP-2331625-B1 FLAME-RETARDANT COMPOSITION COMPRISING A PHOSPHONIC ACID DERIVATIVE THOR GMBH (DE) 2012-01-18 EP disclosed
EP-2331625-A1 FLAME-RETARDANT COMPOSITION COMPRISING A PHOSPHONIC ACID DERIVATIVE THOR GmbH (DE) 2011-06-15 EP disclosed
WO-2010026230-A1 FLAME-RETARDANT COMPOSITION COMPRISING A PHOSPHONIC ACID DERIVATIVE THOR GMBH (DE) 2010-03-11 WO disclosed
EP-1846046-A2 ABSORBENT STRUCTURE WITH IMPROVED WATER-ABSORBING MATERIAL The Procter and Gamble Company (US) 2007-10-24 EP disclosed
EP-1776416-A1 SCRATCH RESISTANT POLYOLEFINS Ciba SC Holding AG (CH) 2007-04-25 EP disclosed
EP-1774071-A1 WETTABLE POLYESTER FIBERS AND FABRICS Ciba SC Holding AG (CH) 2007-04-18 EP disclosed
WO-2006083585-A2 ABSORBENT STRUCTURE WITH IMPROVED WATER-ABSORBING MATERIAL THE PROCTER & GAMBLE COMPANY (US) 2006-08-10 WO disclosed
WO-2006008256-A1 WETTABLE POLYESTER FIBERS AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-26 WO disclosed
WO-2006003127-A1 SCRATCH RESISTANT POLYOLEFINS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-12 WO disclosed