SCHEMBL8751542

SCHEMBL8751542

COCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.81
▸ FNTB P49356 2/20 0.81
▸ SERPINA6 P08185 3/20 0.77
▸ LMNA P02545 8/20 0.61
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ CYP3A4 P08684 5/20 0.61
▸ MAPT P10636 5/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ NR3C1 P04150 3/20 0.58
▸ NR1I2 O75469 2/20 0.58
▸ PGR P06401 2/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ ABCB11 O95342 2/20 0.58
▸ SHBG P04278 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ POLB P06746 1/20 0.56
▸ TSHR P16473 4/20 0.56
▸ CYP2C9 P11712 3/20 0.56

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
SCHEMBL7989375 0.91 FNTA (0.83) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL19961198 0.91 FNTA (0.76) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL141610 0.90 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL14382323 0.90 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL13026136 0.90 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL141611 0.90 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL20239320 0.90 SERPINA6 (0.80) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL9073248 0.89 SERPINA6 (0.79) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL15920543 0.87 SERPINA6 (1.00) FNTAFNTBSERPINA6LMNASMN1; SMN2
SCHEMBL668966 0.87 SERPINA6 (1.00) FNTAFNTBSERPINA6LMNASMN1; SMN2

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-0607088-B1 New 17,20-epoxy pregnane derivatives, their use in the preparation of cortisone derivatives and intermediates therefor ROUSSEL UCLAF (FR) 1997-04-09 — — EP disclosed
EP-0607088-A1 New 17,20-epoxy pregnane derivatives, their use in the preparation of cortisone derivatives and intermediates therefor ROUSSEL UCLAF (FR) 1994-07-20 — — EP disclosed
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