SCHEMBL7162142

SCHEMBL7162142

CC(=O)OCC(=O)[C@@]1(OC(=O)CCC(=O)O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.73
▸ PGR P06401 9/20 0.71
▸ CYP3A4 P08684 4/20 0.71
▸ AR P10275 3/20 0.71
▸ F2 P00734 1/20 0.71
▸ HIF1A Q16665 7/20 0.58
▸ ABCB11 O95342 3/20 0.58
▸ NR1I2 O75469 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ LMNA P02545 3/20 0.52
▸ USP2 O75604 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CHRM1 P11229 1/20 0.51
▸ ABCC3 O15438 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7712900 0.96 PGR (0.69) NR3C1PGRCYP3A4ARF2
SCHEMBL10881968 0.93 PGR (0.72) NR3C1PGRCYP3A4ARF2
SCHEMBL10881975 0.93 PGR (0.72) NR3C1PGRCYP3A4ARF2
SCHEMBL10934308 0.93 PGR (0.72) NR3C1PGRCYP3A4ARF2
SCHEMBL3220466 0.93 PGR (0.72) NR3C1PGRCYP3A4ARF2
SCHEMBL10883572 0.93 PGR (0.71) NR3C1PGRCYP3A4ARF2
SCHEMBL10939858 0.92 PGR (0.70) NR3C1PGRCYP3A4ARF2
SCHEMBL10939853 0.92 PGR (0.70) NR3C1PGRCYP3A4ARF2
Methylprednisolone Aceponate SCHEMBL8612416 0.92 PGR (0.74) NR3C1PGRCYP3A4ARF2
Methylprednisolone Aceponate SCHEMBL8961317 0.92 PGR (0.74) NR3C1PGRCYP3A4ARF2

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
US-6547390-B1 Top stabilized photochromic lens system EXXENE CORPORATION 2003-04-15 — — US disclosed
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