SCHEMBL7771017

SCHEMBL7771017

CCCCCCCCCCCCc1ccccc1C(N)CCCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.55
CYSLTR1 Q9Y271 9/20 0.55
LIPG Q9Y5X9 1/20 0.50
SLC2A1 P11166 1/20 0.43
CSNK1E P49674 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
S1PR2 O95136 2/20 0.41
S1PR1 P21453 2/20 0.41
HTR2A P28223 1/20 0.41
S1PR3 Q99500 1/20 0.40
BID P55957 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BAK1 Q16611 1/20 0.40

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
SCHEMBL10602463 1.00 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGSLC2A1CSNK1E
Hydrochloric Acid SCHEMBL25415549 0.92 CYSLTR2 (0.47) CYSLTR2CYSLTR1LIPGSLC2A1CSNK1E
Hydrochloric Acid SCHEMBL25412742 0.92 CYSLTR2 (0.47) CYSLTR2CYSLTR1LIPGSLC2A1CSNK1E
Hydrochloric Acid SCHEMBL25415945 0.92 CYSLTR2 (0.47) CYSLTR2CYSLTR1LIPGSLC2A1CSNK1E
Hydrochloric Acid SCHEMBL25414246 0.92 CYSLTR2 (0.47) CYSLTR2CYSLTR1LIPGSLC2A1CSNK1E
SCHEMBL8590594 0.87 CYSLTR2 (0.44) CYSLTR2CYSLTR1LIPGSLC2A1S1PR2
Hydrochloric Acid SCHEMBL8589589 0.86 CYSLTR2 (0.43) CYSLTR2CYSLTR1LIPGSLC2A1BID
SCHEMBL28051907 0.86 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPGNR1H2NR1H3
SCHEMBL8592066 0.85 CYSLTR2 (0.42) CYSLTR2CYSLTR1LIPGSLC2A1S1PR2
Hydrochloric Acid SCHEMBL8594505 0.84 CYSLTR2 (0.41) CYSLTR2CYSLTR1LIPGSLC2A1BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4275234-A Recovery of acids from aqueous solutions IMI (TAMI) INSTITUTE FOR RESEARCH AND DEVELOPMENT (IL) 1981-06-23 US claimed
EP-0828725-B1 PROCESS FOR THE RECOVERY OF ASCORBIC ACID YISSUM RES DEV CO (IL) 2001-07-25 EP disclosed
US-6172242-B1 EXTRACTION; SEPARATION; STRIPPING FROM AQUEOUS SOLUTION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-01-09 US disclosed
US-6037480-A EXTRACTING ASCORBIC ACID WITH A WATER-IMMISCIBLE ORGANIC EXTRACTANT COMPRISING SECONDARY OR TERTIARY ALKYL AMINE AND POLAR EXTRACTION ENHANCER; SEPARATING ASCORBIC ACID-CONTAINING ORGANIC EXTRACTANT; STRIPPING YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2000-03-14 US disclosed
EP-0828725-A4 PROCESS AND COMPOSITIONS FOR THE RECOVERY OF ASCORBIC ACID YISSUM RES DEV CO (IL) 1998-10-07 EP disclosed
WO-1996038433-A9 PROCESS AND COMPOSITIONS FOR THE RECOVERY OF ASCORBIC ACID 1998-05-22 WO disclosed
EP-0828725-A1 PROCESS AND COMPOSITIONS FOR THE RECOVERY OF ASCORBIC ACID YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-03-18 EP disclosed
WO-1996038433-A1 PROCESS AND COMPOSITIONS FOR THE RECOVERY OF ASCORBIC ACID YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1996-12-05 WO disclosed
US-4334095-A Extraction of organic acids from aqueous solutions MILES LABORATORIES, INC. (US) 1982-06-08 US disclosed
EP-0049429-A1 Process for the extraction of organic acids from aqueous solution MILES LABORATORIES, INC. (US) 1982-04-14 EP disclosed
US-4275234-A Recovery of acids from aqueous solutions IMI (TAMI) INSTITUTE FOR RESEARCH AND DEVELOPMENT (IL) 1981-06-23 US disclosed