SCHEMBL9726311

SCHEMBL9726311

CCC[C@@H](C)[C@H]1CCC2C3CCC4CCC(OC(=O)c5ccc(C(=O)Oc6ccccc6S(=O)(=O)O)cc5)C[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
VDR P11473 3/20 0.44
ABCC4 O15439 3/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
USP2 O75604 1/20 0.42
CDC25A P30304 1/20 0.41
ABCC1 P33527 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL9856712 0.86 VDR (0.47) VDRABCC4USP2CDC25AGPBAR1
SCHEMBL9185693 0.84 VDR (0.54) CA1CA2VDRABCC4GRIN1
SCHEMBL9726287 0.80 VDR (0.59) VDRABCC4USP2CDC25A
SCHEMBL27748386 0.79 SRD5A2 (0.52) VDRABCC4USP2CDC25AGPBAR1
SCHEMBL7771728 0.75 VDR (0.47) CA1CA2VDRABCC4GRIN1
SCHEMBL27748419 0.74 ACHE (0.47) VDRGRIN1GRIN2BUSP2CDC25A
SCHEMBL8956544 0.72 VDR (0.48) VDRABCC4GRIN1GRIN2BUSP2
SCHEMBL8956596 0.72 VDR (0.48) VDRABCC4GRIN1GRIN2BUSP2
SCHEMBL9620139 0.72 VDR (0.62) VDRABCC4USP2CDC25A
SCHEMBL10018007 0.71 CDC25A (0.56) VDRUSP2CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5078907-A UNSYMMETRICAL DICARBOXYLIC ESTERS AS BLEACH PRECURSORS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-01-07 US claimed
US-5078907-A UNSYMMETRICAL DICARBOXYLIC ESTERS AS BLEACH PRECURSORS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-01-07 US disclosed
EP-0426217-A2 Bleach precursors UNILEVER N.V. (NL) 1991-05-08 EP disclosed