SCHEMBL5697209

SCHEMBL5697209

Cc1ccccc1[C@H](O)C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ESR1 P03372 1/20 0.45
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
ACP3 P15309 1/20 0.39
ACHE P22303 1/20 0.38
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
SGMS2 Q8NHU3 2/20 0.34
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34

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
SCHEMBL198213 1.00 TSHR (0.50) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL8755381 0.86 MEN1 (0.40) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL13937393 0.84 TSHR (0.61) TSHRESR1ALDH1A1MEN1MAPT
SCHEMBL3764158 0.80 ESR1 (0.46) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL1200939 0.80 AR (0.44) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL1201090 0.78 TSHR (0.50) TSHRALDH1A1LMNAKMT2ASLC6A2
SCHEMBL27837019 0.78 TSHR (0.50) TSHRALDH1A1LMNAKMT2ASLC6A2
SCHEMBL10836507 0.78 ESR1 (0.45) TSHRESR1ALDH1A1MEN1LMNA
SCHEMBL13993318 0.78 ESR1 (0.59) TSHRESR1ALDH1A1GAAACP3
SCHEMBL7030620 0.77 ESR1 (0.48) TSHRESR1ALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957083-B1 Process for stabilising cyanhydrines DSM FINE CHEM AUSTRIA GMBH (AT) 2002-04-10 EP claimed
US-6031123-A Process for stabilizing cyanohydrins DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2000-02-29 US claimed
EP-0957083-A2 Process for stabilising cyanhydrines DSM Fine Chemicals Austria GmbH (AT) 1999-11-17 EP claimed
EP-0927766-B1 Enzymatic process for the preparation of (S)-cyanhydrines DSM FINE CHEM AUSTRIA GMBH (AT) 2006-06-14 EP disclosed
WO-2004090124-A2 SEQUENCES ENCODING S-HYDROXYNITRIL LYASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CYANOHYDRINS BASF AKTIENGESELLSCHAFT (DE) 2004-10-21 WO disclosed
EP-1223168-A1 Method for the preparation of enantiomerically enriched amino and hydroxyfuranones DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2002-07-17 EP disclosed
US-6417377-B1 Process for preparing enantiomer-enriched amino- and hydroxyfuranones DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-07-09 US disclosed
EP-0957083-B1 Process for stabilising cyanhydrines DSM FINE CHEM AUSTRIA GMBH (AT) 2002-04-10 EP disclosed
US-6225095-B1 REACTING ALDEHYDE OR KETONE DISSOLVED IN AN ORGANIC, WATER-IMMISCIBLE OR SLIGHTLY MISCIBLE DILUENT, AN AQUEOUS HYDROXYNITRILE LYASE SOLUTION, AND A CYANIDE GROUP DONOR TO FORM AN EMULSION WHICH IS MAINTAINED BY STIRRING DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2001-05-01 US disclosed
US-6031123-A Process for stabilizing cyanohydrins DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2000-02-29 US disclosed
EP-0957083-A2 Process for stabilising cyanhydrines DSM Fine Chemicals Austria GmbH (AT) 1999-11-17 EP disclosed
EP-0927766-A1 Enzymatic process for the preparation of (S)-cyanhydrines DSM Fine Chemicals Austria GmbH (AT) 1999-07-07 EP disclosed