SCHEMBL27494595

SCHEMBL27494595

CCCCCCCCCC(=O)OC1C[C@H](O)CC2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]34)[C@]21C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.53
▸ VDR P11473 3/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CDC25A P30304 3/20 0.52
▸ POLA1 P09884 1/20 0.52
▸ CASP7 P55210 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ MDM4 O15151 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HSPD1 P10809 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PTPN2 P17706 1/20 0.51
▸ PTPN1 P18031 1/20 0.51

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
SCHEMBL28311381 0.90 CASP7 (0.59) GPBAR1VDRHIF1ACYP2C9CDC25A
SCHEMBL4739199 0.89 CDC25A (0.51) GPBAR1VDRHIF1ACYP2C9CDC25A
SCHEMBL4734427 0.89 CDC25A (0.51) GPBAR1VDRHIF1ACYP2C9CDC25A
SCHEMBL4736136 0.89 CDC25A (0.51) GPBAR1VDRHIF1ACYP2C9CDC25A
SCHEMBL4739431 0.89 CDC25A (0.51) GPBAR1VDRHIF1ACYP2C9CDC25A
SCHEMBL4739288 0.89 CDC25A (0.51) GPBAR1VDRHIF1ACYP2C9CDC25A
SCHEMBL4735707 0.89 CDC25A (0.51) GPBAR1VDRHIF1ACYP2C9CDC25A
SCHEMBL4735768 0.89 CDC25A (0.51) GPBAR1VDRHIF1ACYP2C9CDC25A
SCHEMBL4786672 0.89 CDC25A (0.51) GPBAR1VDRHIF1ACYP2C9CDC25A
SCHEMBL4786752 0.89 CDC25A (0.51) GPBAR1VDRHIF1ACYP2C9CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1254231-C Treated substrate with improved transfer efficiency of topical application KIMBERLY CLARK CO (US) 2006-05-03 — — CN disclosed
CN-1211070-C Facial tissue compositions and methods for sequestering nasal secretion skin irritants KIMBERLY CLARK CO (US) 2005-07-20 — — CN disclosed
CN-1568176-A Treated substrate with improved transfer efficiency of topical application KIMBERLY CLARK CO (US) 2005-01-19 — — CN disclosed
CN-1344153-A Facial tissue compositions and methods for sequestering nasal secretion skin irritants KIMBERLY CLARK CO (US) 2002-04-10 — — CN disclosed
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