SCHEMBL27937472

SCHEMBL27937472

CCCCCC1(CCCCC)c2ccccc2-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.40
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP8 P22894 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ RPS6KA2 Q15349 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ HTR7 P34969 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ FFAR1 O14842 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
SCHEMBL10058153 0.89 MMP2 (0.43) PDK2MMP2MMP9MMP8MMP13
SCHEMBL24079322 0.87 PDK2 (0.39) PDK2MMP2MMP9MMP8MMP13
SCHEMBL13931302 0.87 PDK2 (0.39) PDK2MMP2MMP9MMP8MMP13
SCHEMBL12900223 0.87 PDK2 (0.39) PDK2MMP2MMP9MMP8MMP13
SCHEMBL4514063 0.87 PDK2 (0.39) PDK2MMP2MMP9MMP8MMP13
SCHEMBL12957895 0.86 PDK2 (0.38) PDK2MMP2MMP9MMP8MMP13
SCHEMBL12900247 0.85 PDK2 (0.36) PDK2MMP2MMP9MMP8MMP13
SCHEMBL16578103 0.85 PDK2 (0.33) PDK2HTR7ALDH1A1NPSR1
SCHEMBL10025026 0.85 MMP2 (0.40) PDK2MMP2MMP9MMP8MMP13
SCHEMBL13931287 0.84 PDK2 (0.40) PDK2MMP2MMP9MMP8MMP13

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-103562342-A Organic light emitting device and method of manufacturing the same LG CHEMICAL LTD 2014-02-05 — — CN disclosed
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