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Propene

Propene

SCHEMBL3848076

C=CC.CN(C)c1ccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)c[nH]c2c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 19/20 0.55
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ PGR P06401 2/20 0.37

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
SCHEMBL4285397 0.86 NR3C1 (0.68) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4273778 0.85 NR3C1 (0.69) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4276186 0.83 NR3C1 (0.61) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4273224 0.83 NR3C1 (0.63) NR3C1PGR
SCHEMBL4285099 0.83 NR3C1 (0.66) NR3C1PGR
SCHEMBL3011033 0.82 NR3C1 (0.70) NR3C1PGR
SCHEMBL3010233 0.82 NR3C1 (0.55) NR3C1CYP11B1CYP11B2PGR
SCHEMBL4277590 0.81 NR3C1 (0.68) NR3C1CYP11B1CYP11B2PGR
SCHEMBL2999624 0.81 NR3C1 (0.64) NR3C1CYP11B1CYP11B2PGR
SCHEMBL3016678 0.81 NR3C1 (0.64) NR3C1CYP11B1CYP11B2PGR

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-2102170-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-09-23 — — EP claimed
WO-2008070507-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 — — WO claimed