SCHEMBL9699662

SCHEMBL9699662

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCCCCN=C=S

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 12/20 0.82
▸ SMN1; SMN2 Q16637 3/20 0.82
▸ MAPT P10636 2/20 0.82
▸ POLB P06746 1/20 0.82
▸ GAA P10253 1/20 0.82
▸ NFKB1 P19838 2/20 0.73
▸ PMP22 Q01453 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ PGR P06401 3/20 0.71
▸ LMNA P02545 3/20 0.71
▸ SERPINA6 P08185 2/20 0.71
▸ AR P10275 2/20 0.71
▸ CHRM1 P11229 2/20 0.71
▸ CYP3A4 P08684 2/20 0.69
▸ NR3C1 P04150 4/20 0.64
▸ NR3C2 P08235 3/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ SHBG P04278 1/20 0.64

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
SCHEMBL141851 0.90 HIF1A (1.00) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL3488312 0.90 HIF1A (1.00) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL7137200 0.90 HIF1A (1.00) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL7142712 0.90 HIF1A (1.00) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL31249760 0.89 HIF1A (0.87) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL5084679 0.89 HIF1A (0.98) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL13669679 0.89 HIF1A (0.86) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL80604 0.89 HIF1A (0.95) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL4450347 0.89 HIF1A (0.86) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL2679288 0.89 HIF1A (0.95) HIF1ASMN1; SMN2MAPTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106950-A Polypeptide-labeled analyte analog for carrying out an immunoassay BIOPHARMA S.A. (LU) 1992-04-21 — — US disclosed
US-4785080-A POLYPEPTIDES COVALENTYL LINKED TO ANALOG; HAVING CATALYTIC EFFECT ON SUBSTRATE CONVERSION TO REPORTER MOLECULE; IMMUNOASSAY BAKER INSTRUMENTS CORPORATION (US) 1988-11-15 — — US disclosed
EP-0062277-B1 A METHOD FOR CARRYING OUT NON-ISOTOPIC IMMUNOASSAYS, LABELED ANALYTES AND KITS FOR USE IN SUCH ASSAYS Baker Instruments Corporation (US) 1985-08-28 — — EP disclosed
US-4378428-A Method for carrying out non-isotopic immunoassays, labeled analytes and kits for use in such assays BAKER INSTRUMENTS CORPORATION (US) 1983-03-29 — — US disclosed
EP-0062277-A1 A method for carrying out non-isotopic immunoassays, labeled analytes and kits for use in such assays Baker Instruments Corporation (US) 1982-10-13 — — EP disclosed
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