SCHEMBL13985476

SCHEMBL13985476

CCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.75
▸ PGR P06401 8/20 0.75
▸ HIF1A Q16665 7/20 0.75
▸ CYP3A4 P08684 7/20 0.75
▸ LMNA P02545 4/20 0.75
▸ NR1I2 O75469 1/20 0.75
▸ NPSR1 Q6W5P4 2/20 0.68
▸ HSD17B10 Q99714 4/20 0.65
▸ NFKB1 P19838 3/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ PMP22 Q01453 2/20 0.65
▸ CYP2J2 P51589 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ ESR1 P03372 2/20 0.64
▸ TSHR P16473 2/20 0.63
▸ AR P10275 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ KMT2A Q03164 1/20 0.63

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
SCHEMBL7741442 0.94 CYP3A4 (0.73) NR3C1PGRHIF1ACYP3A4LMNA
SCHEMBL7134775 0.94 CYP3A4 (0.73) NR3C1PGRHIF1ACYP3A4LMNA
SCHEMBL10337827 0.94 CYP3A4 (0.73) NR3C1PGRHIF1ACYP3A4LMNA
SCHEMBL1638192 0.90 NR3C1 (0.78) NR3C1PGRHIF1ACYP3A4LMNA
SCHEMBL12140907 0.90 NR3C1 (0.78) NR3C1PGRHIF1ACYP3A4LMNA
SCHEMBL22601611 0.90 NR3C1 (0.78) NR3C1PGRHIF1ACYP3A4LMNA
SCHEMBL13214375 0.89 NR3C1 (0.68) NR3C1PGRHIF1ACYP3A4LMNA
Acrocinonide SCHEMBL11880454 0.88 NR3C1 (0.74) NR3C1PGRHIF1ACYP3A4LMNA
Acrocinonide SCHEMBL1813445 0.88 NR3C1 (0.74) NR3C1PGRHIF1ACYP3A4LMNA
SCHEMBL26228053 0.88 LMNA (0.65) NR3C1PGRHIF1ACYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
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