SCHEMBL6906058

SCHEMBL6906058

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 17/20 0.68
▸ PGR P06401 3/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ ADORA3 P0DMS8 1/20 0.68
▸ AR P10275 1/20 0.68
▸ PTGS1 P23219 1/20 0.68
▸ SLCO1B3 Q9NPD5 1/20 0.68
▸ SLCO1B1 Q9Y6L6 1/20 0.68
▸ HIF1A Q16665 1/20 0.58
▸ NR1I2 O75469 1/20 0.58
▸ CNR1 P21554 1/20 0.58

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
SCHEMBL13659043 1.00 NR3C1 (0.68) NR3C1PGRCYP3A4LMNACYP1A2
SCHEMBL11036558 0.93 NR3C1 (0.64) NR3C1PGRCYP3A4LMNACYP1A2
SCHEMBL14794113 0.90 NR3C1 (0.56) NR3C1PGRCYP3A4LMNACYP1A2
SCHEMBL11076081 0.90 NR3C1 (0.55) NR3C1PGRCYP3A4LMNACYP1A2
SCHEMBL11581859 0.89 NR3C1 (0.60) NR3C1PGRCYP3A4LMNACYP1A2
SCHEMBL11580265 0.89 NR3C1 (0.60) NR3C1PGRCYP3A4LMNACYP1A2
SCHEMBL3982428 0.88 NR3C1 (0.60) NR3C1PGRCYP3A4LMNACYP1A2
SCHEMBL4214294 0.88 NR3C1 (0.53) NR3C1PGRCYP3A4LMNACYP1A2
SCHEMBL14794076 0.87 NR3C1 (0.56) NR3C1PGRCYP3A4LMNACYP1A2
SCHEMBL11586331 0.87 NR3C1 (0.66) NR3C1PGRCYP3A4LMNACYP2D6

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
EP-1448202-A1 COMBINATION OF A PDE4 OR PDE3/4 INHIBITOR AND AN ANTI-RHEUMATIC DRUG ALTANA Pharma AG (DE) 2004-08-25 — — EP disclosed
WO-2003039552-A1 COMBINATION OF PDE4 OR PDE3/4 INHIBITOR AND AN ANTI-RHEUMATIC DRUG ALTANA PHARMA AG (DE) 2003-05-15 — — WO disclosed
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