SCHEMBL5481783

SCHEMBL5481783

O=COC(CC(=O)O)(CC(=O)O)C(=O)O.[CaH2]

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ACLY P53396 3/20 0.31
CPT2 P23786 1/20 0.30

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
SCHEMBL6662491 0.98 ALDH1A1 (0.39) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL28566521 0.95 ALDH1A1 (0.37) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL7617479 0.95 ALDH1A1 (0.37) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL27485250 0.93 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Choline SCHEMBL15324016 0.77 MEN1 (0.34)
SCHEMBL28115383 0.76 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL336806 0.73 ALDH1A1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL9483954 0.72 ALDH1A1 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL21647263 0.72 ALDH1A1 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL8281605 0.71 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007035760-A1 ENHANCED SOLUBILITY OF PREFORMED CALCIUM CITRATE BY ADDING CITRIC ACID BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-29 WO claimed
US-20070065542-A1 Enhanced solubility of preformed calcium citrate by adding citric acid BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-22 US claimed
WO-2007035760-A1 ENHANCED SOLUBILITY OF PREFORMED CALCIUM CITRATE BY ADDING CITRIC ACID BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-29 WO disclosed
US-20070065542-A1 Enhanced solubility of preformed calcium citrate by adding citric acid BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-22 US disclosed