SCHEMBL28173476

SCHEMBL28173476

CCCCCCCCCC1CC(N)C1CC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 11/20 0.43
▸ SPHK2 Q9NRA0 9/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ EPHX1 P07099 1/20 0.39
▸ CYP1A2 P05177 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ THRB P10828 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
SCHEMBL19384130 0.81 ALOX5 (0.48) SPHK1SPHK2ALDH1A1ALOX5EPHX1
SCHEMBL462039 0.78 — —
SCHEMBL2877408 0.78 — —
SCHEMBL21746023 0.78 — —
SCHEMBL462038 0.78 — —
SCHEMBL19302125 0.76 ALOX5 (0.42) SPHK1SPHK2ALDH1A1ALOX5EPHX1
SCHEMBL19302096 0.76 ALOX5 (0.42) SPHK1SPHK2ALDH1A1ALOX5EPHX1
SCHEMBL18685663 0.73 ALOX5 (0.65) SPHK1SPHK2ALDH1A1ALOX5EPHX1
SCHEMBL18657390 0.73 ALOX5 (0.65) SPHK1SPHK2ALDH1A1ALOX5EPHX1
SCHEMBL29971764 0.73 ALOX5 (0.65) SPHK1SPHK2ALDH1A1ALOX5EPHX1

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-107022403-A The lube oil additive of boron molybdenum integration and its preparation and application 江西福安路润滑材料有限公司 2017-08-08 — — CN disclosed
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