SCHEMBL6436205

SCHEMBL6436205

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ CYP3A4 P08684 3/20 0.46
▸ NR1I2 O75469 2/20 0.46
▸ CYP17A1 P05093 2/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ AR P10275 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CYP19A1 P11511 5/20 0.43
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42

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
SCHEMBL6446120 0.89 LMNA (0.48) MAPTLMNACYP3A4NR1I2CYP17A1
SCHEMBL13415930 0.86 CYP17A1 (0.52) MAPTLMNACYP3A4NR1I2CYP17A1
SCHEMBL6437247 0.78 MAPT (0.51) MAPTLMNACYP3A4NR1I2CYP17A1
SCHEMBL6436851 0.78 MAPT (0.51) MAPTLMNACYP3A4NR1I2CYP17A1
SCHEMBL6437957 0.77 CYP19A1 (0.62) MAPTLMNACYP3A4NR1I2CYP17A1
SCHEMBL6437488 0.77 SHBG (0.62) MAPTLMNACYP3A4NR3C1PGR
SCHEMBL6436012 0.75 MAPT (0.41) MAPTLMNACYP3A4NR1I2CYP17A1
SCHEMBL6439919 0.75 MAPT (0.41) MAPTLMNACYP3A4NR1I2CYP17A1
SCHEMBL6442894 0.75 CYP3A4 (0.80) MAPTLMNACYP3A4NR1I2CYP17A1
SCHEMBL24102806 0.74 AR (0.64) MAPTLMNACYP3A4NR1I2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 — — US claimed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US claimed
US-20050113354-A1 Bioavailable prodrugs of androgenic steroids and related method ROBERTS WILLIAM J (US) 2005-05-26 — — US disclosed
US-6740646-B2 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2004-05-25 — — US disclosed
US-20030134830-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US disclosed
US-20030134831-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2003-07-17 — — US disclosed
Send feedback