SCHEMBL6316280

SCHEMBL6316280

CC(C)COC(=O)C1C=CC=CC1C(=O)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX4 Q99571 1/20 0.33
CACNA1F O60840 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
PTPN1 P18031 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL6317573 0.93 TSHR (0.37) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL1169269 0.76 TSHR (0.36) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL28923743 0.76 ALDH1A1 (0.42) TSHRALDH1A1PTPN1MAPTLMNA
SCHEMBL6316661 0.76 ALDH1A1 (0.42) TSHRALDH1A1PTPN1MAPTLMNA
SCHEMBL28409269 0.76 ALDH1A1 (0.42) TSHRALDH1A1PTPN1MAPTLMNA
SCHEMBL1196061 0.75 TDP1 (0.43) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL5084661 0.73 MAPT (0.36) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL27496718 0.73 TSHR (0.38) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL28405608 0.72 PPM1B (0.40) TSHRALDH1A1CHRM2CHRM4CHRM5
SCHEMBL28923489 0.72 PPM1B (0.40) TSHRALDH1A1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815098-B1 PROCESS AND APPARATUS FOR THE PREPARATION AND RECOVERY OF MALEIC ANHYDRIDE HUNTSMAN SPEC CHEM CORP (US) 2004-04-21 EP claimed
EP-0815098-A4 PROCESS AND APPARATUS FOR THE PREPARATION AND RECOVERY OF MALEIC ANHYDRIDE HUNTSMAN SPEC CHEM CORP (US) 1998-06-10 EP claimed
EP-0815098-A1 PROCESS AND APPARATUS FOR THE PREPARATION AND RECOVERY OF MALEIC ANHYDRIDE HUNTSMAN PETROCHEMICAL CORPORATION (US) 1998-01-07 EP claimed
US-5631387-A SOLVENT RECOVERY HUNTSMAN PETROCHEMICAL CORPORATION (US) 1997-05-20 US claimed
WO-1996029323-A1 PROCESS AND APPARATUS FOR THE PREPARATION AND RECOVERY OF MALEIC ANHYDRIDE HUNTSMAN PETROCHEMICAL CORPORATION (US) 1996-09-26 WO claimed
US-8940915-B2 Solvent for recovery of maleic anhydride from a gas stream HUNTSMAN PETROCHEMICAL LLC (US) 2015-01-27 US disclosed
US-20140081036-A1 Solvent for Recovery of Maleic Anhydride from a Gas Stream HUNTSMAN PETROCHEMICAL LLC (US) 2014-03-20 US disclosed
EP-2707402-A1 IMPROVED SOLVENT FOR RECOVERY OF MALEIC ANHYDRIDE FROM A GAS STREAM Huntsman Petrochemical LLC (US) 2014-03-19 EP disclosed
WO-2012154479-A1 IMPROVED SOLVENT FOR RECOVERY OF MALEIC ANHYDRIDE FROM A GAS STREAM HUNTSMAN PETROCHEMICAL LLC (US) 2012-11-15 WO disclosed
US-6921830-B2 Method for purifying an organic solvent for the purposes of absorption of maleic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2005-07-26 US disclosed
US-20040127726-A1 Method for purifying an organic solvent for the purposes of absorption of maleic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2004-07-01 US disclosed
EP-0815098-B1 PROCESS AND APPARATUS FOR THE PREPARATION AND RECOVERY OF MALEIC ANHYDRIDE HUNTSMAN SPEC CHEM CORP (US) 2004-04-21 EP disclosed
EP-0815098-A4 PROCESS AND APPARATUS FOR THE PREPARATION AND RECOVERY OF MALEIC ANHYDRIDE HUNTSMAN SPEC CHEM CORP (US) 1998-06-10 EP disclosed
EP-0815098-A1 PROCESS AND APPARATUS FOR THE PREPARATION AND RECOVERY OF MALEIC ANHYDRIDE HUNTSMAN PETROCHEMICAL CORPORATION (US) 1998-01-07 EP disclosed
US-5631387-A SOLVENT RECOVERY HUNTSMAN PETROCHEMICAL CORPORATION (US) 1997-05-20 US disclosed
WO-1996029323-A1 PROCESS AND APPARATUS FOR THE PREPARATION AND RECOVERY OF MALEIC ANHYDRIDE HUNTSMAN PETROCHEMICAL CORPORATION (US) 1996-09-26 WO disclosed