SCHEMBL27544691

SCHEMBL27544691

CCCCC[C](C)c1ccc(CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ F10 P00742 1/20 0.42
▸ HSD17B3 P37058 6/20 0.41
▸ TNNC1 P63316 5/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ SGPL1 O95470 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ CERS2 Q96G23 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL11780717 0.81 THRA (0.58) TNNC1S1PR1SGPL1S1PR4GPR183
Hydrochloric Acid SCHEMBL11504350 0.80 ESR1 (0.42) HSD17B3TNNC1S1PR1SGPL1S1PR4
SCHEMBL29288300 0.79 HSD17B3 (0.67) HSD17B3S1PR1S1PR3S1PR5THRA
SCHEMBL816636 0.76 CES2 (0.58) —
SCHEMBL4453742 0.75 CES2 (0.59) —
SCHEMBL815938 0.75 CES2 (0.59) —
SCHEMBL1581395 0.75 CES2 (0.59) —
SCHEMBL5968483 0.75 CES2 (0.59) —
SCHEMBL2761831 0.75 CES2 (0.59) —
SCHEMBL11494540 0.75 CES2 (0.59) —

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
CN-1281584-C Process for producing dialkyl peroxide NIPPON OILS & FATS CO LTD (JP) 2006-10-25 — — CN disclosed
CN-1555362-A Process for producing dialkyl peroxide 日本油脂株式会社 2004-12-15 — — CN disclosed
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