SCHEMBL10708368

SCHEMBL10708368

CC1=CCC([C@@H](C)C[C@H](C)CO)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.36
TOP2A P11388 1/20 0.33
OSBP P22059 2/20 0.32
NR1H3 Q13133 1/20 0.32
RORC P51449 1/20 0.32
DHCR24 Q15392 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
SCHEMBL10708360 1.00 TRPA1 (0.36) TRPA1TOP2AOSBPNR1H3RORC
SCHEMBL22790104 0.85
SCHEMBL1225550 0.81
SCHEMBL22773761 0.80 GRIN1 (0.41) OSBPNR1H3RORC
SCHEMBL10710725 0.80 GRIN1 (0.41) OSBPNR1H3RORC
SCHEMBL11725542 0.79 NR1H3 (0.33) NR1H3
SCHEMBL10580398 0.77 USP2 (0.30)
SCHEMBL9051230 0.75 USP2 (0.35)
SCHEMBL19631246 0.75 USP2 (0.35)
SCHEMBL295709 0.75 USP2 (0.35)

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
EP-0155591-B1 HYDROXYLATED DERIVATIVES OF CAMPHOLENIC ALDEHYDE, THEIR USE AS FLAVOURING AGENTS AND FLAVOURING COMPOSITIONS CONTAINING THEM FIRMENICH SA (CH) 1988-05-25 EP claimed
EP-0155591-A2 Hydroxylated derivatives of campholenic aldehyde, their use as flavouring agents and flavouring compositions containing them FIRMENICH SA (CH) 1985-09-25 EP claimed
EP-0155591-B1 HYDROXYLATED DERIVATIVES OF CAMPHOLENIC ALDEHYDE, THEIR USE AS FLAVOURING AGENTS AND FLAVOURING COMPOSITIONS CONTAINING THEM FIRMENICH SA (CH) 1988-05-25 EP disclosed
US-4610813-A Hydroxylic campholenic aldehyde derivatives, their utilization as perfume ingredients and perfuming compositions containing same FIRMENICH SA (CH) 1986-09-09 US disclosed
EP-0155591-A2 Hydroxylated derivatives of campholenic aldehyde, their use as flavouring agents and flavouring compositions containing them FIRMENICH SA (CH) 1985-09-25 EP disclosed