SCHEMBL11046219

SCHEMBL11046219

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 3/20 0.48
▸ SRD5A1 P18405 9/20 0.45
▸ SRD5A2 P31213 9/20 0.45
▸ CDC25A P30304 5/20 0.44
▸ NPC1L1 Q9UHC9 1/20 0.44
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ CDC25B P30305 3/20 0.42
▸ CRYAB P02511 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
SCHEMBL11046214 1.00 EBP (0.48) EBPSRD5A1SRD5A2CDC25ANPC1L1
SCHEMBL11046212 1.00 EBP (0.48) EBPSRD5A1SRD5A2CDC25ANPC1L1
SCHEMBL29527487 0.81 CDC25A (0.51) EBPCDC25ANPC1L1CDC25B
SCHEMBL29410405 0.81 CDC25A (0.51) EBPCDC25ANPC1L1CDC25B
SCHEMBL332666 0.81 CDC25A (0.51) EBPCDC25ANPC1L1CDC25B
SCHEMBL29398347 0.81 CDC25A (0.51) EBPCDC25ANPC1L1CDC25B
SCHEMBL3229569 0.79 EBP (0.49) EBPCDC25ANPC1L1CDC25B
SCHEMBL1470722 0.79 EBP (0.48) EBPCDC25ANPC1L1CDC25B
SCHEMBL1470720 0.79 EBP (0.48) EBPCDC25ANPC1L1CDC25B
SCHEMBL1470719 0.79 EBP (0.48) EBPCDC25ANPC1L1CDC25B

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-4434080-A DIOXYIODO AROMATICS ROUSSEL UCLAF (FR) 1984-02-28 — — US disclosed
US-4220588-A PREPARATION OF ALPHA, BETA-UNSATURATED ALDEHYDE OR KETONE BY DEHYOROGENATING WITH ARYLSELENINIC ANHYDRIDE RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC., 49 AMHERST ST., CAMBRIDGE, MA. 02142, 1980-09-02 — — US disclosed
Send feedback