SCHEMBL2835327

SCHEMBL2835327

CC(=O)Oc1ccccc1CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL4928302 0.85 ELANE (0.42) PTGS2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL7121792 0.84 PTGS2 (0.49) PTGS2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL11714965 0.82 ALDH1A1 (0.50) HSD17B10TSHRALDH1A1HPGDPTGS1
SCHEMBL3813781 0.81 PPARG (0.44) PTGS2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL7025060 0.81 KMT2A (0.46) KDM4ETSHRALDH1A1HPGDLMNA
SCHEMBL19679785 0.80 KMT2A (0.53) HSD17B10ALDH1A1HPGDESR1LMNA
SCHEMBL7558668 0.80 TSHR (0.37) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL7558666 0.80 TSHR (0.37) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL11589528 0.80 PTGS2 (0.55) PTGS2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL68677 0.80 PTGS2 (0.55) PTGS2KDM4EHSD17B10TSHRALDH1A1

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-20100278715-A1 Systems, Devices, and/or Methods Regarding Specific Precursors or Tube Control Agent for the Synthesis of Carbon Nanofiber and Nanotube TH LLC (VN) 2010-11-04 US disclosed
US-20040138057-A1 Catalyst composition and methods for its preparation and use in a polymerization process WENZEL TIMOTHY T (US) 2004-07-15 US disclosed