SCHEMBL5155136

SCHEMBL5155136

CC1(C)CC(=O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](OC(=O)Cc5ccccc5)CC[C@@H]34)[C@H]21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.62
▸ LMNA P02545 6/20 0.51
▸ HIF1A Q16665 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP3A4 P08684 4/20 0.44
▸ NR1I2 O75469 2/20 0.44
▸ PGR P06401 2/20 0.44
▸ AR P10275 2/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ CYP19A1 P11511 3/20 0.44
▸ SERPINA6 P08185 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL6012029 0.82 LMNA (0.75) MAPTLMNAALDH1A1CYP3A4NR1I2
SCHEMBL5189196 0.82 LMNA (0.75) MAPTLMNAALDH1A1CYP3A4NR1I2
SCHEMBL5155074 0.82 LMNA (0.55) MAPTLMNAHIF1AALDH1A1MCL1
Nandrolone Phenpropionate SCHEMBL8443 0.77 MAPT (1.00) MAPTLMNAHIF1AALDH1A1MCL1
Nandrolone Phenpropionate SCHEMBL15285479 0.77 MAPT (1.00) MAPTLMNAHIF1AALDH1A1MCL1
Nandrolone Phenpropionate SCHEMBL29396630 0.77 MAPT (1.00) MAPTLMNAHIF1AALDH1A1MCL1
Testosterone Phenylacetate SCHEMBL547375 0.76 CYP3A4 (0.76) MAPTLMNAHIF1AALDH1A1HSD17B10
SCHEMBL5153517 0.76 MAPT (0.52) MAPTLMNAHIF1AALDH1A1MCL1
SCHEMBL31304050 0.75 SERPINA6 (0.67) MAPTLMNAALDH1A1HSD17B10CYP3A4
SCHEMBL6024545 0.75 SERPINA6 (0.67) MAPTLMNAALDH1A1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262023-B2 Microbiological process for the production of 7-substituted 11-hydroxy steroids, 7,17-substituted 11-Halogen steroids and uses thereof BAYER SCHERING PHARMA AG (DE) 2007-08-28 — — US disclosed
US-20050090477-A1 Microbiological process for the production of 7-substituted 11-hydroxy steroids, 7,17-substituted 11-halogen steroids that can be produced therefrom, their process for production and use as well as pharmaceutical prepartions that contain these compounds, as well as 7-substituted estra-1,3,5(10)-trienses that can be produced therefrom SCHERING AG (DE) 2005-04-28 — — US disclosed
EP-1353938-A1 ANDROGENIC 7-SUBSTITUTED 11-HALOGENATED STEROIDS Schering Aktiengesellschaft (DE) 2003-10-22 — — EP disclosed
WO-2002059139-A1 ANDROGENIC 7-SUBSTITUTED 11-HALOGEN STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 2002-08-01 — — WO disclosed
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