SCHEMBL2998970

SCHEMBL2998970

CC(C(=O)O)c1ccccc1C(=O)c1ccccc1.CC(C(=O)O)c1ccccc1C(=O)c1ccccc1.NCCCCCCN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
MAPT P10636 3/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
PMP22 Q01453 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CXCL8 P10145 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
GAA P10253 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
SCHEMBL4144845 0.88 PTGS2 (0.57) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL3355855 0.88 PTGS2 (0.57) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL4486188 0.80 AKR1C3 (0.50) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL8522917 0.79 PTGS1 (0.55) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL7038218 0.79 MAPT (0.50) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL8462914 0.78 PTGS1 (0.50) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL13668901 0.77 PTGS1 (0.53) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL1122739 0.76 BCL2 (0.64) PTGS1PTGS2MAPTALDH1A1LMNA
SCHEMBL8576518 0.76 PTGS1 (0.55) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL8523457 0.75 PTGS1 (0.55) PTGS1PTGS2MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217096-B2 Photocurable pressure-sensitive adhesive composition SEKISUI CHEMICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100184880-A1 PHOTOCURABLE PRESSURE-SENSITIVE ADHESIVE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2010-07-22 US disclosed