SCHEMBL6695579

SCHEMBL6695579

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
MVD P53602 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
ACLY P53396 2/20 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
SCHEMBL28036003 1.00 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL686740 1.00 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL10437619 1.00 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL17559293 1.00 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL16061866 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL15510736 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL15092995 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL12004445 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL12004446 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL27524295 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105409-A A kind of preparation method and applications glycosylating hesperetin 广东金骏康生物技术有限公司 2019-08-09 CN claimed
CN-108559647-A A kind of plating AF film glass cleaning agents and the preparation method and application thereof 广东山之风环保科技有限公司 2018-09-21 CN claimed
US-20040086568-A1 Polymeric medical devices COVALON TECHNOLOGIES INC. (CA) 2004-05-06 US claimed
CN-110305892-A A method of the feasibility of verifying CRISPR-Cas9 System-mediated target gene insertion candida utili 广东利世康低碳科技有限公司 2019-10-08 CN disclosed
CN-108239649-A A kind of recombined endo polygalacturonase and its gene pgaA and application 广东利世康低碳科技有限公司 2018-07-03 CN disclosed
CN-108130335-A A kind of recombination pectinesterase pmeA and its encoding gene and application 广东利世康低碳科技有限公司 2018-06-08 CN disclosed
CN-105921833-A Electrolyte for removing alloy mold cores and method for removing alloy mold cores 李庆 2016-09-07 CN disclosed
CN-104448258-A PHBV (polyhydroxylbutyrate valerate) polymer, preparation method and hemostatic material manufactured by using PHBV polymer CHINESE ACAD INST MICROBIOLOGY 2015-03-25 CN disclosed
CN-101558159-A Specific hydrolysis of the n-unprotected (r) -ester of (3 ) -amin0-3-arylpr0pi0nic acid esters REDDYS LAB LTD DR (GB) 2009-10-14 CN disclosed
US-20040191385-A1 Composition for stabilizing pink color of fresh large cardamom and a process for stabilizing the pink color of large cardamom COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-09-30 US disclosed