SCHEMBL6931571

SCHEMBL6931571

CC(C)(CCC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.50
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
ACLY P53396 1/20 0.45
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 4/20 0.40
TSHR P16473 4/20 0.40
HIF1A Q16665 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
EGLN1 Q9GZT9 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
SCHEMBL68460 0.97 NAALAD2 (0.52) NAALAD2ALDH1A1CYP1A2MEN1THRB
Hydrochloric Acid SCHEMBL7028451 0.95 NAALAD2 (0.50) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL8582765 0.95 NAALAD2 (0.50) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL6740712 0.95 NAALAD2 (0.50) NAALAD2ALDH1A1CYP1A2MEN1THRB
Ammonia Solution, Strong SCHEMBL8839919 0.95 NAALAD2 (0.50) NAALAD2ALDH1A1CYP1A2MEN1THRB
Water SCHEMBL4931332 0.92 NAALAD2 (0.48) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL11475196 0.88 ACLY (0.50) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL28484576 0.86 NAALAD2 (0.44) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL29007337 0.86 FFAR1 (0.50) NAALAD2ALDH1A1CYP1A2MEN1THRB
SCHEMBL20102834 0.83 NAALAD2 (0.45) NAALAD2ALDH1A1CYP1A2MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4661443-A FORMATION OF INITIAL NH2-TERMINAL DIPEPTIDES AND TRIPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1987-04-28 US claimed
EP-0935650-A4 DETECTION OF MAMMALIAN HEPARANASE ACTIVITY AND PURIFICATION OF MAMMALIAN HEPARANASE UNIV AUSTRALIAN (AU) 2003-08-20 EP disclosed
EP-0969814-A1 OPTHALMIC NON-IRRITATING IODINE MEDICAMENT AND METHOD Symbollon Corporation (US) 2000-01-12 EP disclosed
EP-0935650-A1 DETECTION OF MAMMALIAN HEPARANASE ACTIVITY AND PURIFICATION OF MAMMALIAN HEPARANASE THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1999-08-18 EP disclosed
WO-1998042313-A1 OPTHALMIC NON-IRRITATING IODINE MEDICAMENT AND METHOD SYMBOLLON CORPORATION (US) 1998-10-01 WO disclosed
WO-1998003638-A1 DETECTION OF MAMMALIAN HEPARANASE ACTIVITY AND PURIFICATION OF MAMMALIAN HEPARANASE THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1998-01-29 WO disclosed
US-4661443-A FORMATION OF INITIAL NH2-TERMINAL DIPEPTIDES AND TRIPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1987-04-28 US disclosed