SCHEMBL17548830

SCHEMBL17548830

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.40
PTGS1 P23219 3/20 0.39
ACHE P22303 2/20 0.39
TDP1 Q9NUW8 1/20 0.35
RPS6KA3 P51812 1/20 0.33
PDK2 Q15119 1/20 0.33
HPRT1 P00492 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GCGR P47871 1/20 0.32
MAPK14 Q16539 1/20 0.32
COMT P21964 1/20 0.32

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
SCHEMBL4549715 1.00 PTGS2 (0.40) PTGS2PTGS1ACHETDP1RPS6KA3
SCHEMBL14211939 0.98 PTGS2 (0.39) PTGS2PTGS1ACHETDP1RPS6KA3
SCHEMBL803112 0.98 PTGS2 (0.41) PTGS2PTGS1ACHETDP1RPS6KA3
SCHEMBL803431 0.96 PTGS2 (0.40) PTGS2PTGS1ACHETDP1RPS6KA3
SCHEMBL803253 0.91 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL17570168 0.91 ACHE (0.46) PTGS2PTGS1ACHETDP1RPS6KA3
SCHEMBL172423 0.89 ACHE (0.48) PTGS2PTGS1ACHETDP1RPS6KA3
SCHEMBL18503372 0.87 CYP1A2 (0.39) PTGS2PTGS1
SCHEMBL17192339 0.87 AKR1C3 (0.43) PTGS2PTGS1RPS6KA3PDE3BPDE3A
SCHEMBL13417792 0.87 AKR1C3 (0.43) PTGS2PTGS1RPS6KA3PDE3BPDE3A

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-9777218-B2 Liquid crystal display element DIC CORPORATION (JP) 2017-10-03 US disclosed
US-20160060523-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2016-03-03 US disclosed