SCHEMBL17224735

SCHEMBL17224735

O=[Zn]OC(CC(=O)O)(CC(=O)O)C(=O)O.[Zn]

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
SCHEMBL28043378 0.76 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL7516558 0.75 ALDH1A1 (0.43) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL2315211 0.73 ALDH1A1 (0.42) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL9483954 0.72 ALDH1A1 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL21647263 0.72 ALDH1A1 (0.46) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL27902708 0.71 CYP2C19 (0.44) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL108616 0.70 ALDH1A1 (0.43) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL1414703 0.70 ALDH1A1 (0.43) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL28390182 0.70 ALDH1A1 (0.43) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL5809750 0.69 ALDH1A1 (0.42) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021437-A1 IMPROVING, MAINTAINING, PROTECTING AND REPAIRING TISSUE INTEGRITY, BARRIER FUNCTION AND IMMUNITY USING A COMPOSITION COMPRISING A SOURCE OF ZINC IONS Colgate-Palmolive Company (US) 2022-07-06 EP disclosed
WO-2021203132-A1 IMPROVING, MAINTAINING, PROTECTING AND REPAIRING TISSUE INTEGRITY, BARRIER FUNCTION AND IMMUNITY USING A COMPOSITION COMPRISING A SOURCE OF ZINC IONS COLGATE-PALMOLIVE COMPANY (US) 2021-10-07 WO disclosed
US-20210308028-A1 Compositions and Methods for Maintaining and Protecting Tissue Integrity and Barrier Function COLGATE-PALMOLIVE COMPANY (US) 2021-10-07 US disclosed
EP-3137040-A1 ORAL CARE COMPOSITION CONTAINING SILICA AND ZINC CITRATE Colgate-Palmolive Company (US) 2017-03-08 EP disclosed
US-20170049671-A1 Oral Care Composition Containing Silica and Zinc Citrate COLGATE PALMOLIVE CO (US) 2017-02-23 US disclosed
WO-2015167488-A1 ORAL CARE COMPOSITION CONTAINING SILICA AND ZINC CITRATE COLGATE-PALMOLIVE COMPANY (US) 2015-11-05 WO disclosed