SCHEMBL9679574

SCHEMBL9679574

CC(CC#CC(C)(C)O)C1CCC2C(O)CCCC12C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.56
▸ CDC25B P30305 2/20 0.56
▸ GPBAR1 Q8TDU6 11/20 0.41
▸ OSBP P22059 1/20 0.36
▸ OSBP2 Q969R2 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL9718353 1.00 CDC25A (0.56) CDC25ACDC25BGPBAR1OSBPOSBP2
SCHEMBL8359291 0.94 CDC25A (0.49) CDC25ACDC25BGPBAR1OSBPOSBP2
SCHEMBL13556511 0.84 CDC25A (0.43) CDC25ACDC25BGPBAR1
SCHEMBL16151557 0.84 CDC25A (0.43) CDC25ACDC25BGPBAR1
SCHEMBL25433253 0.81 CDC25A (0.57) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL25433251 0.81 CDC25A (0.57) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL18271594 0.80 CDC25A (0.63) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL10857773 0.80 CDC25A (0.63) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL10857860 0.80 CDC25A (0.63) CDC25ACDC25BGPBAR1NR1H4
SCHEMBL17888102 0.77 CDC25A (0.74) CDC25ACDC25BOSBPOSBP2

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-5145846-A Skin disorders, leukemia, sebaceous gland disorders HOFFMANN-LA ROCHE INC. (US) 1992-09-08 — — US disclosed
US-5087619-A For treatment of skin or gland disorders; antitumor agents HOFFMAN-LA ROCHE INC. (US) 1992-02-11 — — US disclosed
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