SCHEMBL695119

SCHEMBL695119

CNC(Cc1c(F)cccc1F)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.44
ICAM1 P05362 4/20 0.44
ITGAL P20701 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
ITGA4 P13612 3/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB1 P05556 2/20 0.38
TGM2 P21980 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL29522638 1.00 ITGB2 (0.44) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL692549 0.81 CTSS (0.47) ITGB2ICAM1ITGALLMNA
SCHEMBL692547 0.81 CTSS (0.47) ITGB2ICAM1ITGALLMNA
SCHEMBL38327 0.81 L3MBTL1 (0.49) ITGB2ICAM1ITGALLMNAITGA4
SCHEMBL10065865 0.78 CTSS (0.41) SMN1; SMN2
SCHEMBL7136191 0.77 APAF1 (0.41) SMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL1529787 0.76 PTPN1 (0.55) ITGB1
SCHEMBL4584520 0.76 PTPN1 (0.55) ITGB1
SCHEMBL8986521 0.76 SLC1A1 (0.56)
SCHEMBL31754259 0.76 SLC1A1 (0.56)

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-2421893-A2 SHORT-CHAIN PEPTIDES AS PARATHYROID HORMONE (PTH) RECEPTOR AGONIST Cadila Healthcare Limited (IN) 2012-02-29 EP claimed
WO-2010128521-A2 SHORT-CHAIN PEPTIDES AS PARATHYROID HORMONE (PTH) RECEPTOR AGONIST CADILA HEALTHCARE LIMITED (IN) 2010-11-11 WO claimed
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed
WO-2012120532-A2 CYCLIC SHORT CHAIN PEPTIDES CADILA HEALTHCARE LIMITED (IN) 2012-09-13 WO disclosed
EP-2421893-A2 SHORT-CHAIN PEPTIDES AS PARATHYROID HORMONE (PTH) RECEPTOR AGONIST Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010128521-A2 SHORT-CHAIN PEPTIDES AS PARATHYROID HORMONE (PTH) RECEPTOR AGONIST CADILA HEALTHCARE LIMITED (IN) 2010-11-11 WO disclosed