SCHEMBL11211265

SCHEMBL11211265

CCCCCCCCCC1CC1C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX5 P09917 1/20 0.49
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA9 Q16790 8/20 0.43
CA12 O43570 7/20 0.43
DGKA P23743 1/20 0.39
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10887383 1.00 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1ALOX5CA1
SCHEMBL3491244 1.00 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1ALOX5CA1
SCHEMBL3493177 1.00 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1ALOX5CA1
SCHEMBL10628247 1.00 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1ALOX5CA1
SCHEMBL29105884 1.00 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1ALOX5CA1
SCHEMBL11214433 0.98 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1ALOX5CA1
SCHEMBL10900794 0.93 CA1 (0.46) ALDH1A1POLBL3MBTL1ALOX5CA1
SCHEMBL11207674 0.93 CA1 (0.46) ALDH1A1POLBL3MBTL1ALOX5CA1
SCHEMBL18202965 0.85 CA1 (0.48) ALDH1A1POLBL3MBTL1CA1CA2
SCHEMBL15805069 0.85 CA1 (0.48) ALDH1A1POLBL3MBTL1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117062798-A Incense odorant 弗门尼舍有限公司 2023-11-14 CN disclosed
EP-0015604-B1 COMPOUNDS AND COMPOSITIONS FOR USE IN INHIBITION OF LIPOGENESIS IN MAMMALS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-02-23 EP disclosed
EP-0015604-A1 Compounds and compositions for use in inhibition of lipogenesis in mammals SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-09-17 EP disclosed
US-4202902-A VETERINARY MEDICINE SHELL OIL COMPANY (US) 1980-05-13 US disclosed