SCHEMBL6064116

SCHEMBL6064116

CC(C)[C@H]1CC[C@](C)(CO)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
EPHX1 P07099 1/20 0.33
CDC25A P30304 2/20 0.30
CDC25B P30305 2/20 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
SCHEMBL3178706 1.00 CYP19A1 (0.33) CYP19A1EPHX1CDC25ACDC25B
SCHEMBL3178711 1.00 CYP19A1 (0.33) CYP19A1EPHX1CDC25ACDC25B
SCHEMBL3186474 1.00 CYP19A1 (0.33) CYP19A1EPHX1CDC25ACDC25B
SCHEMBL3186466 1.00 CYP19A1 (0.33) CYP19A1EPHX1CDC25ACDC25B
SCHEMBL5434175 1.00 CYP19A1 (0.33) CYP19A1EPHX1CDC25ACDC25B
SCHEMBL6064110 1.00 CYP19A1 (0.33) CYP19A1EPHX1CDC25ACDC25B
SCHEMBL2703592 0.87 EPHX1 (0.36) EPHX1
SCHEMBL2350456 0.87 EPHX1 (0.36) EPHX1
SCHEMBL2702955 0.87 EPHX1 (0.36) EPHX1
SCHEMBL5444687 0.84 CDC25A (0.33) CDC25ACDC25B

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
EP-1668102-A1 3-ISOPROPYL-1-METHYLCYCLOPENTYL DERIVATIVES AND THEIR USE IN FRAGRANCE APPLICATIONS Givaudan SA (CH) 2006-06-14 EP disclosed
WO-2005030914-A1 3-ISOPROPYL-1-METHYLCYCLOPENTYL DERIVATIVES AND THEIR USE IN FRAGRANCE APPLICATIONS GIVAUDAN SA (CH) 2005-04-07 WO disclosed