SCHEMBL9725970

SCHEMBL9725970

C1CCCCC(OC2CCCCCCCCC2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
NPC1 O15118 1/20 0.36
EPHX1 P07099 2/20 0.35
ACHE P22303 1/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL199270 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL198177 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL6100779 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL6333537 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL10775019 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL5640745 1.00 CA1 (0.41) CA1CA2CA12CA9NPC1
SCHEMBL23581147 0.96 CA1 (0.39) CA1CA2CA12CA9NPC1
SCHEMBL106379 0.96 CA1 (0.39) CA1CA2CA12CA9NPC1
SCHEMBL108021 0.96 CA1 (0.39) CA1CA2CA12CA9NPC1
SCHEMBL11615689 0.96 CA1 (0.39) CA1CA2CA12CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244160-B Cold-rolling oil composition for ferritic stainless steel strip and cold-rolling method for ferritic stainless steel strip 杰富意钢铁株式会社 2024-04-02 CN disclosed
US-5138095-A Detergents TEXACO CHEMICAL COMPANY (US) 1992-08-11 US disclosed
US-4524023-A LIQUID DETERGENTS; ENHANCED OIL RECOVERY TEXACO INC. (US) 1985-06-18 US disclosed
US-4524023-A LIQUID DETERGENTS; ENHANCED OIL RECOVERY TEXACO INC. (US) 1985-06-18 US disclosed
US-4524023-A LIQUID DETERGENTS; ENHANCED OIL RECOVERY TEXACO INC. (US) 1985-06-18 US disclosed