SCHEMBL10569530

SCHEMBL10569530

O=C(O)CCC(NC(=O)c1cccs1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
NAALAD2 Q9Y3Q0 5/20 0.54
CA2 P00918 2/20 0.52
HPGD P15428 2/20 0.52
CA1 P00915 1/20 0.52
RAB9A P51151 1/20 0.50
CTSL P07711 1/20 0.50
GAA P10253 1/20 0.49
HDAC1 Q13547 1/20 0.49
FOLH1 Q04609 1/20 0.49
RIMKLA Q8IXN7 1/20 0.49
HSPA5 P11021 2/20 0.47
HSPA1A P0DMV8 1/20 0.47
HSPA9 P38646 1/20 0.47
HSPA2 P54652 1/20 0.47
GGH Q92820 1/20 0.47

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
SCHEMBL1605401 1.00 ALDH1A1 (0.55) ALDH1A1NAALAD2CA2HPGDCA1
Methylamine SCHEMBL10771739 0.97 HPGD (0.53) ALDH1A1NAALAD2CA2HPGDCA1
SCHEMBL4384045 0.90 CA2 (0.53) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL4881536 0.89 HPGD (0.57) ALDH1A1HPGDRAB9ACTSLHDAC1
SCHEMBL9705401 0.83 RAB9A (0.54) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL9705400 0.83 RAB9A (0.54) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL11386076 0.83 RAB9A (0.54) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL8144685 0.82 HSPA5 (0.61) ALDH1A1HPGDRAB9ACTSLGAA
SCHEMBL9955478 0.82 CA2 (0.55) ALDH1A1CA2HPGDCA1RAB9A
SCHEMBL11221728 0.82 CA2 (0.55) ALDH1A1CA2HPGDCA1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117545771-A Application of cellular immunotherapy 克莱格医学有限公司 2024-02-09 CN disclosed
CN-115216449-A Engineered immune cells and uses thereof 南京北恒生物科技有限公司 2022-10-21 CN disclosed
CN-107090456-B Inhibition of beta 1 gene expression using short interfering nucleic acids mediated by RNA interference of catenin (cadherin-associated protein) 瑟纳治疗公司 2022-01-18 CN disclosed
CN-113214246-A Protein kinase C inhibitors and methods of their use 诺华股份有限公司 2021-08-06 CN disclosed
CN-106795151-B Protein kinase C inhibitors and methods of their use 诺华股份有限公司 2021-05-07 CN disclosed
CN-111989344-A Methods and compositions for treating tumors 科济生物医药(上海)有限公司 2020-11-24 CN disclosed
CN-101801379-A CSF-1R inhibitors for treatment of cancer and bone diseases NOVARTIS AG 2010-08-11 CN disclosed
US-4882334-A ANTITUMOR AGENTS INHIBIT ENZYMES WHICH USE FOLIC ACID OR ITS METABOLITES AS SUBSTRATE; ANTICARCINOGENIC THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-11-21 US disclosed