SCHEMBL3045544

SCHEMBL3045544

[CH2]c1c(O)cccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.62
TDP1 Q9NUW8 2/20 0.50
ERN1 O75460 1/20 0.47
CTSB P07858 1/20 0.46
CXCR2 P25025 1/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A3 Q8NEV1 2/20 0.44
KCNMA1 Q12791 2/20 0.44
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
S100A4 P26447 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL83317 0.84 TDP1 (0.61) GPR35TDP1ERN1TSHRALDH1A1
Nitrophenolate SCHEMBL27633379 0.80 GPR35 (0.63) GPR35TDP1CTSBCXCR2TSHR
Methane SCHEMBL27840914 0.79 GPR35 (0.96) GPR35TDP1ERN1CTSBCXCR2
Nitrophenolate SCHEMBL28695581 0.78 GPR35 (0.61) GPR35TDP1CTSBCXCR2TSHR
SCHEMBL70167 0.78 GPR35 (0.78) GPR35TDP1ERN1CTSBCXCR2
SCHEMBL6280266 0.78 GPR35 (0.67) GPR35TDP1ERN1CTSBCXCR2
Nitrophenolate SCHEMBL29360402 0.78 GPR35 (0.65) GPR35TDP1CTSBCXCR2TSHR
Nitrophenolate SCHEMBL26026 0.78 GPR35 (0.65) GPR35TDP1CTSBCXCR2TSHR
Nitrophenolate SCHEMBL28029048 0.78 GPR35 (0.65) GPR35TDP1CTSBCXCR2TSHR
Catechol SCHEMBL28052795 0.78 GPR35 (0.65) GPR35TDP1ERN1CTSBCXCR2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US claimed
EP-1115738-A4 SYNTHESIS OF CYCLIC PEPTIDES UNIV QUEENSLAND (AU) 2004-09-01 EP claimed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP claimed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO claimed
US-20240139279-A1 CYCLIC PROSAPOSIN PEPTIDES AND USES THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-05-02 US disclosed
US-11654178-B2 Cyclic prosaposin peptides and uses thereof CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-05-23 US disclosed
EP-4154901-A1 CYCLIC PROSAPOSIN PEPTIDES AND USES THEREOF The Children's Medical Center Corporation (US) 2023-03-29 EP disclosed
EP-3122369-B1 CYCLIC PROSAPOSIN PEPTIDES AND USES THEREOF CHILDRENS MEDICAL CENTER (US) 2022-08-31 EP disclosed
US-20220152146-A1 CYCLIC PROSAPOSIN PEPTIDES AND USES THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-05-19 US disclosed
CN-113908253-A Cyclic sphingolipid activator protein propeptide and uses thereof 儿童医学中心公司 2022-01-11 CN disclosed
US-11191805-B2 Cyclic prosaposin peptides and uses thereof CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-12-07 US disclosed
CN-106659764-B Cyclic sphingolipid activator protein propeptide and uses thereof 儿童医学中心公司 2021-11-02 CN disclosed
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed
EP-1115739-B1 AUXILIARY FOR AMIDE BOND FORMATION UNIV QUEENSLAND (AU) 2009-04-29 EP disclosed
EP-1115739-A4 AUXILIARY FOR AMIDE BOND FORMATION UNIV QUEENSLAND (AU) 2004-10-27 EP disclosed
EP-1115738-A4 SYNTHESIS OF CYCLIC PEPTIDES UNIV QUEENSLAND (AU) 2004-09-01 EP disclosed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
EP-1115739-A1 AUXILIARY FOR AMIDE BOND FORMATION THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed
WO-2000018789-A1 AUXILIARY FOR AMIDE BOND FORMATION THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed