SCHEMBL8599352

SCHEMBL8599352

O=[Ti](=O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CALM1 P0DP23 1/20 0.45
ELANE P08246 2/20 0.44
FAAH O00519 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRTN3 P24158 1/20 0.44
PRSS3 P35030 1/20 0.44
EPHX2 P34913 1/20 0.42
AKR1B1 P15121 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TRPA1 O75762 1/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MAOB P27338 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
SCHEMBL618229 0.75 CALM1 (0.50) CALM1ELANEFAAHPRSS1PRSS2
SCHEMBL7593388 0.71 TSHR (0.48) CALM1ELANEFAAHPRSS1PRSS2
SCHEMBL7595495 0.71 ALDH1A1 (0.46) CALM1ELANEFAAHPRSS1PRSS2
SCHEMBL7593691 0.71 TSHR (0.48) CALM1ELANEFAAHPRSS1PRSS2
SCHEMBL5615038 0.71 CALM1 (0.45) CALM1ELANEFAAHPRSS1PRSS2
SCHEMBL7596375 0.71 ALDH1A1 (0.46) CALM1ELANEFAAHPRSS1PRSS2
SCHEMBL726277 0.71 CALM1 (0.45) CALM1ELANEFAAHPRSS1PRSS2
SCHEMBL15349439 0.71 CALM1 (0.45) CALM1ELANEFAAHPRSS1PRSS2
SCHEMBL7589587 0.71 TSHR (0.48) CALM1ELANEFAAHPRSS1PRSS2
SCHEMBL727560 0.71 CALM1 (0.45) CALM1ELANEFAAHPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5795839-A COORDINATION POLYMERIZATION CATALYST FOR POLYOLEFIN MANUFACTURE NIPPON OIL CO., LTD. (JP) 1998-08-18 US disclosed
US-5707914-A ZIRCONIUM OR HAFNIUM ALKYLS OR ALKOXIDES NIPPON OIL CO., LTD. (JP) 1998-01-13 US disclosed
US-5677401-A COORDINATION CATALYST NIPPON OIL CO., LTD. (JP) 1997-10-14 US disclosed
US-5625014-A Method for polymerization of olefins NIPPON OIL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0520816-B1 Catalyst components for polymerization of olefins NIPPON OIL CO LTD (JP) 1995-12-13 EP disclosed
US-5331071-A Transition metal and alumoxane components NIPPON OIL CO., LTD. (JP) 1994-07-19 US disclosed
EP-0546690-A1 Catalyst components for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1993-06-16 EP disclosed
EP-0520816-A2 Catalyst components for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1992-12-30 EP disclosed