SCHEMBL29016451

SCHEMBL29016451

CCOc1cc(C2CCCCC2)c(-c2ccccc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.40
▸ CAMKK1 Q8N5S9 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39
▸ SLC6A9 P48067 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ SSTR5 P35346 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTR1D P28221 2/20 0.37
▸ HTR1B P28222 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL29016453 0.87 SSTR5 (0.37) PTGDR2CAMKK1CAMKK2SSTR5KCNH2
SCHEMBL20111290 0.76 PTGDR2 (0.37) PTGDR2CAMKK1CAMKK2PTGDRALDH1A1
SCHEMBL20111356 0.75 FEN1 (0.38) PTGDR2CAMKK1CAMKK2ALDH1A1LMNA
SCHEMBL15681397 0.74 PTGDR2 (0.43) PTGDR2CAMKK1CAMKK2PTGDRALDH1A1
SCHEMBL195657 0.74 PTGDR2 (0.62) PTGDR2KCNH2ALDH1A1KDM4EHTR1D
SCHEMBL31186270 0.73 ADORA3 (0.33) PTGDR2ALDH1A1KDM4ELMNAHPGD
SCHEMBL20102455 0.73 PTGDR2 (0.39) PTGDR2CAMKK1CAMKK2PTGDRALDH1A1
SCHEMBL20111583 0.73 PTGDR2 (0.39) PTGDR2CAMKK1CAMKK2PTGDRALDH1A1
SCHEMBL20111693 0.72 ALOX5AP (0.39) HTR2A
SCHEMBL29016454 0.72 PTGS2 (0.43) PTGDR2ALDH1A1KDM4EHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116254121-A Negative liquid crystal mixture, display panel, display device and driving method 北京京东方显示技术有限公司 2023-06-13 — — CN disclosed
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