SCHEMBL5280480

SCHEMBL5280480

CC(=O)Oc1ccccc1-c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
TSHR P16473 3/20 0.52
HSD17B10 Q99714 3/20 0.52
PTGS2 P35354 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
ESR1 P03372 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
HMGB1 P09429 1/20 0.52
GGT1 P19440 1/20 0.52
PTGS1 P23219 1/20 0.52
BLM P54132 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 1/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8676653 0.90 PTGS2 (0.61) KDM4ETSHRHSD17B10PTGS2ALDH1A1
SCHEMBL237313 0.86 AKR1C3 (0.42) KDM4EHSD17B10ALDH1A1HPGDESR1
SCHEMBL7553861 0.86 AKR1C3 (0.42) KDM4EALDH1A1HPGDESR1TDP1
SCHEMBL237316 0.85 AKR1C3 (0.44) KDM4ETSHRHSD17B10PTGS2ALDH1A1
SCHEMBL29819709 0.84 ELANE (0.45) KDM4ETSHRHSD17B10PTGS2ALDH1A1
SCHEMBL16192523 0.84 ELANE (0.45) KDM4ETSHRHSD17B10PTGS2ALDH1A1
SCHEMBL172737 0.84 PTGS2 (0.59) KDM4ETSHRHSD17B10PTGS2ALDH1A1
SCHEMBL30179347 0.84 PTGS2 (0.59) KDM4ETSHRHSD17B10PTGS2ALDH1A1
SCHEMBL16236644 0.82 KDM4E (0.53) KDM4ETSHRHSD17B10PTGS2ALDH1A1
SCHEMBL27597873 0.82 PTGS2 (0.57) KDM4ETSHRHSD17B10PTGS2ALDH1A1

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
EP-2909279-A1 HEAT ACTIVATED PRESSURE SENSITIVE ADHESIVE Rohm and Haas Company (US) 2015-08-26 EP disclosed
WO-2014093043-A1 HEAT ACTIVATED PRESSURE SENSITIVE ADHESIVE ROHM AND HAAS COMPANY (US) 2014-06-19 WO disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed