SCHEMBL8379447

SCHEMBL8379447

CCS(C)(CC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.56
▸ HTR6 P50406 1/20 0.46
▸ HSD11B1 P28845 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ PLA2G7 Q13093 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL20404601 0.78 PSIP1 (0.56) PSIP1HTR6HSD11B1TDP1SMN1; SMN2
SCHEMBL19561677 0.78 PSIP1 (0.56) PSIP1HTR6HSD11B1TDP1SMN1; SMN2
SCHEMBL5607138 0.76 HTR6 (0.47) PSIP1HTR6TDP1SMN1; SMN2ALDH1A1
SCHEMBL4618662 0.74 PSIP1 (0.59) PSIP1HTR6HSD11B1TDP1SMN1; SMN2
SCHEMBL4457201 0.74 PSIP1 (0.59) PSIP1HTR6HSD11B1TDP1SMN1; SMN2
SCHEMBL27976131 0.74 CA1 (0.44) PSIP1TDP1ALDH1A1HSD17B10CA1
Water SCHEMBL28091272 0.73 HTR6 (0.45) PSIP1HTR6TDP1SMN1; SMN2ALDH1A1
SCHEMBL180713 0.72 PSIP1 (1.00) PSIP1HTR6HSD11B1TDP1SMN1; SMN2
Methylphenylsulfone SCHEMBL78253 0.71 PTGS2 (0.62) PSIP1HTR6TDP1SMN1; SMN2ALDH1A1
Methylphenylsulfone SCHEMBL1332357 0.71 PTGS2 (0.62) PSIP1HTR6TDP1SMN1; SMN2ALDH1A1

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
US-5912212-A OIL WITH 3-METHYL-5-TERT-BUTYL-4-HYDROXYPHENYL FATTY ESTER, SULFUR AND PHOSPHORUS NIPPON OIL CO., LTD. (JP) 1999-06-15 — — US disclosed
EP-0781834-A2 Lubricating oil composition NIPPON OIL CO. LTD. (JP) 1997-07-02 — — EP disclosed
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