Sugi Predict

Sugi Predict / Compounds / SCHEMBL7162548

SCHEMBL7162548

SCHEMBL7162548

C=C1C(=CC=C2CCC[C@]3(C)C([C@H](C)SC[C@@H](O)C(C)C)=CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 3/20 0.45
▸ VDR P11473 3/20 0.41
▸ CYP27B1 O15528 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
SCHEMBL7161812 1.00 CYP24A1 (0.45) CYP24A1VDRCYP27B1
SCHEMBL7166656 1.00 CYP24A1 (0.45) CYP24A1VDRCYP27B1
SCHEMBL7162545 1.00 CYP24A1 (0.45) CYP24A1VDRCYP27B1
SCHEMBL7165878 1.00 CYP24A1 (0.45) CYP24A1VDRCYP27B1
SCHEMBL7161814 1.00 CYP24A1 (0.45) CYP24A1VDRCYP27B1
SCHEMBL7163362 0.94 CYP24A1 (0.44) CYP24A1VDRCYP27B1
SCHEMBL7166163 0.94 CYP24A1 (0.44) CYP24A1VDRCYP27B1
SCHEMBL7167063 0.94 CYP24A1 (0.44) CYP24A1VDRCYP27B1
SCHEMBL7163365 0.94 CYP24A1 (0.44) CYP24A1VDRCYP27B1
SCHEMBL7164661 0.89 CYP24A1 (0.45) CYP24A1VDRCYP27B1

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-6555699-B2 Antitumor and antirheumatic agents, high binding affinity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 — — US disclosed
US-6326503-B1 ANTITUMOR AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-04 — — US disclosed
US-6184398-B1 ANTITUMOR AGENTS AND TREATMENT OF RHEUMATIC CONDITIONS; HIGH BINDING ABILITY TO VITAMIN D RECEPTORS AND WEAK HYPERCALCEMIC ACTIVITY; E.G.,1,3-DIHYDROXY-20-3-HYDROXY-3-METHYLBUTYLTHIO)-9,10-SECOPREGNA -5,7,10(19),16-TETRAENE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-02-06 — — US disclosed
EP-0947504-A1 16-ENE-VITAMIN D DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-06 — — EP disclosed