SCHEMBL7535477

SCHEMBL7535477

COC(C)(CCO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.40
CES1 P23141 1/20 0.39
KCNN4 O15554 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIF11 P52732 2/20 0.34
LMNA P02545 2/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 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
SCHEMBL7852429 0.89 KIF11 (0.38) ALDH1A1MAPK1MAPTKIF11LMNA
SCHEMBL5832056 0.83 ALDH1A1 (0.45) ALDH1A1ALOX15MAPK1CES1KCNN4
SCHEMBL31601269 0.82 GSK3B (0.33) ALDH1A1MAPK1CYP3A4KMT2AMAPT
SCHEMBL13166557 0.82 MAPK1 (0.41) ALDH1A1ALOX15MAPK1CES1KCNN4
SCHEMBL16673523 0.80 MAPK1 (0.40) ALDH1A1ALOX15MAPK1CES1KCNN4
SCHEMBL15063659 0.78 KCNN4 (0.44) ALDH1A1ALOX15MAPK1CES1KCNN4
SCHEMBL8314455 0.77 MAPK1 (0.44) ALDH1A1ALOX15MAPK1CES1KCNN4
SCHEMBL1774346 0.77 MAPK1 (0.44) ALDH1A1ALOX15MAPK1CES1KCNN4
SCHEMBL28237952 0.75 MAPK1 (0.43) ALDH1A1ALOX15MAPK1CES1KCNN4
SCHEMBL487150 0.75 MAPK1 (0.43) ALDH1A1ALOX15MAPK1CES1KCNN4

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-2189452-B1 ASCORBIC ACID DERIVATIVES AND SALTS THEREOF, PROCESS FOR THEIR PRODUCTION, AND COSMETIC PREPARATIONS THEREOF SEIWA KASEI CO LTD (JP) 2012-11-21 EP disclosed
EP-0937719-B1 Process for the preparation of CIS-isoambrettoldide and her application SYNAROME (FR) 2002-04-10 EP disclosed
EP-0937719-A1 Process for the preparation of CIS-isoambrettoldide and her application Synarome (FR) 1999-08-25 EP disclosed