SCHEMBL5547488

SCHEMBL5547488

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ LMNA P02545 5/20 0.57
▸ CYP3A4 P08684 4/20 0.41
▸ AR P10275 3/20 0.41
▸ PGR P06401 3/20 0.41
▸ NR1I2 O75469 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ SERPINA6 P08185 2/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL5552000 1.00 MAPT (0.57) MAPTLMNACYP3A4ARPGR
SCHEMBL5550823 0.91 MAPT (0.56) MAPTLMNACYP3A4ARPGR
SCHEMBL5547510 0.91 MAPT (0.56) MAPTLMNACYP3A4ARPGR
SCHEMBL5550686 0.80 MAPT (0.60) MAPTLMNACYP3A4ARPGR
SCHEMBL5550065 0.80 MAPT (0.60) MAPTLMNACYP3A4ARPGR
SCHEMBL5551986 0.80 MAPT (0.59) MAPTLMNACYP3A4ARPGR
SCHEMBL5546260 0.79 MAPT (0.58) MAPTLMNACYP3A4ARPGR
SCHEMBL3452855 0.79 MAPT (0.56) MAPTLMNACYP3A4ARPGR
SCHEMBL3453522 0.79 MAPT (0.56) MAPTLMNACYP3A4ARPGR
SCHEMBL5550058 0.79 MAPT (0.58) MAPTLMNACYP3A4ARPGR

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-1846434-A1 NANDROLONE 17ß-CARBONATES Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2007-10-24 — — EP claimed
WO-2006083618-A1 NANDROLONE 17ß-CARBONATES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-10 — — WO claimed
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