SCHEMBL4706431

SCHEMBL4706431

CC1(C)C=C(CSCCc2ccccc2)c2cccc(-c3ccccc3-c3ccccc3)c2N1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.54
▸ PGR P06401 8/20 0.54
▸ PTGER1 P34995 2/20 0.37
▸ PTGER4 P35408 2/20 0.37
▸ PTGER3 P43115 2/20 0.37
▸ PTGER2 P43116 2/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MMP12 P39900 1/20 0.32
▸ MMP13 P45452 1/20 0.32

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
SCHEMBL4704555 0.87 NR3C1 (0.51) NR3C1PGRPTGER1PTGER4PTGER3
SCHEMBL4703771 0.86 NR3C1 (0.50) NR3C1PGRPTGER1PTGER4PTGER3
SCHEMBL4706734 0.85 NR3C1 (0.60) NR3C1PGRPTGER1PTGER4PTGER3
SCHEMBL4704793 0.85 NR3C1 (0.68) NR3C1PGR
SCHEMBL4702719 0.85 PGR (0.55) NR3C1PGRCYP1A2CYP3A4CYP2D6
SCHEMBL4706288 0.84 NR3C1 (0.48) NR3C1PGRCYP1A2CYP3A4CYP2D6
SCHEMBL4702596 0.84 NR3C1 (0.61) NR3C1PGR
SCHEMBL4705677 0.83 NR3C1 (0.71) NR3C1PGRPTGER1PTGER4PTGER3
SCHEMBL4702888 0.82 NR3C1 (0.62) NR3C1PGR
SCHEMBL4706194 0.82 PGR (0.55) NR3C1PGR

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
EP-1532113-B1 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2008-08-06 — — EP claimed
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