Sugi Predict

Sugi Predict / Compounds / SCHEMBL6554616

SCHEMBL6554616

SCHEMBL6554616

CC(C)(C)c1ccc2c(c1[Ti](Cl)(Cl)(c1c(C(C)(C)C)ccc3c1Cc1ccccc1-3)=[Si](c1ccccc1)c1ccccc1)Cc1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.33
▸ PNMT P11086 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
Hydrochloric Acid SCHEMBL6554623 0.74 PNMT (0.33) PGRPNMTNPC1RAB9A
SCHEMBL7109706 0.74 PNMT (0.41) PGRPNMTNPC1RAB9A
SCHEMBL6552930 0.73 PNMT (0.35) PGRPNMTNPC1RAB9A
SCHEMBL6552803 0.72 PNMT (0.32) PGRPNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL6552796 0.72 PNMT (0.33) PGRPNMTNPC1RAB9A
SCHEMBL5345640 0.72 PGR (0.38) PGRPNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL6554610 0.71 PNMT (0.33) PGRPNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL6552921 0.71 PGR (0.34) PGRPNMTNPC1RAB9A
SCHEMBL20241461 0.70 PNMT (0.41) PGRPNMTNPC1RAB9A
SCHEMBL32687413 0.70 PNMT (0.41) PGRPNMTNPC1RAB9A

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-0834515-B1 New Organotransition Metal Compounds KANTO KAGAKU (JP) 2004-02-25 — — EP disclosed
EP-0834515-A2 Transition-metal containing organic compounds and their use as catalysts for olefin polymerization KANTO KAGAKU KABUSHIKI KAISHA (JP) 1998-04-08 — — EP disclosed