Sugi Predict

Sugi Predict / Compounds / SCHEMBL6865376

SCHEMBL6865376

SCHEMBL6865376

CC(=O)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CC=C4CC5(CC[C@@H]4[C@H]32)OCCO5)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.45
▸ PGR P06401 9/20 0.34
▸ NR3C1 P04150 9/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL5891679 1.00 AR (0.45) ARPGRNR3C1CYP3A4POLB
SCHEMBL5892062 0.95 AR (0.42) ARPGRNR3C1CYP3A4POLB
SCHEMBL5891671 0.85 AKR1C3 (0.33) ARPGRNR3C1
SCHEMBL5891654 0.82 AKR1C3 (0.34) ARPGRNR3C1CYP3A4
SCHEMBL7868038 0.82 AKR1C3 (0.34) ARPGRNR3C1CYP3A4
SCHEMBL2122881 0.77 AR (0.59) ARPGRNR3C1CYP3A4
SCHEMBL8410110 0.77 PGR (0.36) ARPGRNR3C1CYP3A4POLB
SCHEMBL5891966 0.77 PGR (0.36) ARPGRNR3C1CYP3A4POLB
SCHEMBL8407179 0.75 PGR (0.36) ARPGRNR3C1POLBMAPT
SCHEMBL8407074 0.75 PGR (0.33) ARPGRNR3C1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806263-B2 NEW 17 ALPHA -FLUOROALKYL STEROIDS OF GENERAL FORMULA I AS ANTIESTROGENS SCHERING AG (DE) 2004-10-19 — — US disclosed
Send feedback