SCHEMBL6245242

SCHEMBL6245242

CC1(C)OC2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]45O[C@H]5C[C@]3(C)[C@]2(C(=O)CCC(=O)O)O1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.63
▸ LMNA P02545 6/20 0.63
▸ PGR P06401 5/20 0.63
▸ HIF1A Q16665 4/20 0.63
▸ CYP3A4 P08684 4/20 0.63
▸ AR P10275 2/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ MAPT P10636 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ CYP2C19 P33261 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ NR1I2 O75469 1/20 0.49

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
SCHEMBL6246691 1.00 NR3C1 (0.63) NR3C1LMNAPGRHIF1ACYP3A4
SCHEMBL11321384 0.87 NR3C1 (0.78) NR3C1LMNAPGRHIF1ACYP3A4
SCHEMBL5262257 0.83 CYP3A4 (0.58) NR3C1LMNAPGRHIF1ACYP3A4
SCHEMBL5262259 0.83 CYP3A4 (0.58) NR3C1LMNAPGRHIF1ACYP3A4
SCHEMBL5654602 0.83 CYP3A4 (0.58) NR3C1LMNAPGRHIF1ACYP3A4
SCHEMBL6246699 0.82 CYP3A4 (0.48) NR3C1LMNAPGRHIF1ACYP3A4
SCHEMBL5652888 0.82 CYP3A4 (0.48) NR3C1LMNAPGRHIF1ACYP3A4
SCHEMBL6241909 0.82 CYP3A4 (0.48) NR3C1LMNAPGRHIF1ACYP3A4
SCHEMBL6241705 0.81 KDM4E (0.46) NR3C1LMNAPGRHIF1ACYP3A4
SCHEMBL6241434 0.81 KDM4E (0.46) NR3C1LMNAPGRHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207165-B1 Isomerisation of 6beta-fluorosteroids into the corresponding 6alpha-fluoro derivatives FARMABIOS SPA (IT) 2005-07-20 — — EP disclosed
EP-1207165-A2 Isomerisation of 6beta-fluorosteroids into the corresponding 6alpha-fluoro derivatives Farmabios S.r.l. (IT) 2002-05-22 — — EP disclosed
US-6369218-B1 REACTION WITH ORGANIC BASE CONTAINING DIAZOIMINO GROUP IN APROTIC POLAR SOLVENT FARMABIOS S.R.L (IT) 2002-04-09 — — US disclosed
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