SCHEMBL9856712

SCHEMBL9856712

CCC[C@@H](C)[C@H]1CCC2C3CCC4CCC(OC(=O)c5ccc(OC(=O)c6ccccc6)cc5)C[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.47
USP2 O75604 1/20 0.47
CDC25A P30304 2/20 0.46
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
EFNA1 P20827 1/20 0.45
EPHA2 P29317 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ST6GAL1 P15907 1/20 0.44

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
SCHEMBL9726287 0.90 VDR (0.59) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL9726311 0.86 CA1 (0.45) VDRUSP2CDC25AGPBAR1ABCC4
SCHEMBL27748386 0.86 SRD5A2 (0.52) VDRUSP2CDC25AAKR1B10AKR1B1
SCHEMBL27748419 0.81 ACHE (0.47) VDRUSP2CDC25AAKR1B10AKR1B1
SCHEMBL9620139 0.80 VDR (0.62) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL10298005 0.78 CDC25A (0.72) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL6742962 0.78 CDC25A (0.72) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL6742968 0.78 CDC25A (0.72) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL8837072 0.78 VDR (0.61) VDRUSP2CDC25AST6GAL1ABCC4
SCHEMBL11298683 0.77 VDR (0.65) VDRUSP2CDC25AHSD17B10ST6GAL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426217-A2 Bleach precursors UNILEVER N.V. (NL) 1991-05-08 EP claimed