SCHEMBL11070636

SCHEMBL11070636

CC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.74
▸ AR P10275 6/20 0.74
▸ ABCB11 O95342 4/20 0.69
▸ CYP3A4 P08684 7/20 0.62
▸ NR3C1 P04150 6/20 0.62
▸ ADRA1A P35348 3/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ HTR1A P08908 1/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ HIF1A Q16665 7/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ NR1I2 O75469 2/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ F2 P00734 1/20 0.50

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
SCHEMBL11127170 1.00 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11127550 1.00 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11127169 1.00 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11262672 1.00 PGR (0.74) PGRARABCB11CYP3A4NR3C1
SCHEMBL11126579 0.92 PGR (0.72) PGRARABCB11CYP3A4NR3C1
SCHEMBL11236322 0.92 PGR (0.72) PGRARABCB11CYP3A4NR3C1
SCHEMBL11413999 0.92 ABCB11 (0.79) PGRARABCB11CYP3A4NR3C1
SCHEMBL22171557 0.92 ABCB11 (0.79) PGRARABCB11CYP3A4NR3C1
SCHEMBL11236326 0.92 PGR (0.72) PGRARABCB11CYP3A4NR3C1
SCHEMBL11124571 0.92 ABCB11 (0.79) PGRARABCB11CYP3A4NR3C1

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-4478818-A Ocular preparation housing steroid in two different therapeutic forms ALZA CORPORATION (US) 1984-10-23 — — US claimed
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