SCHEMBL14610507

SCHEMBL14610507

C[C@@H]1CC=C2C(CCC3[C@@H](C)CCC[C@@]23C)C1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 20/20 0.39

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
SCHEMBL14610868 0.75 NR1H3 (0.40) CYP19A1
SCHEMBL14610148 0.74 NR1H3 (0.39) CYP19A1
SCHEMBL12704706 0.71 PTPN1 (0.59) —
SCHEMBL14610161 0.70 NR1H3 (0.38) —
SCHEMBL12704637 0.69 SOD1 (0.47) —
SCHEMBL14610500 0.67 NR1H3 (0.38) —
SCHEMBL10224357 0.67 NR1H3 (0.38) CYP19A1
SCHEMBL18688311 0.63 CYP19A1 (0.35) CYP19A1
SCHEMBL12522461 0.62 PTPN1 (0.34) —
SCHEMBL17299251 0.61 ESR1 (0.40) CYP19A1

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
WO-2007015757-A2 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2007-02-08 — — WO disclosed
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