SCHEMBL8192158

SCHEMBL8192158

Br[Ti](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 5/20 0.33
MAPK1 P28482 2/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
BBOX1 O75936 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
TRPA1 O75762 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTPN1 P18031 1/20 0.32
GSK3B P49841 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 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
SCHEMBL8182572 0.79 ALDH1A1 (0.39) ALDH1A1TDP1TSHRMAPK1BBOX1
SCHEMBL392642 0.69 ALDH1A1 (0.40) ALDH1A1TDP1TSHRMAPK1BBOX1
SCHEMBL8182474 0.67 ACHE (0.50) ALDH1A1TDP1TSHRCES2CES1
SCHEMBL6151849 0.64 TSHR (0.39) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL8192132 0.64 TSHR (0.39) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL8195954 0.64 TSHR (0.39) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL8195598 0.64 ALDH1A1 (0.35) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL8192301 0.64 ALDH1A1 (0.35) ALDH1A1TDP1TSHRBBOX1EHMT2
SCHEMBL7593738 0.60 LTA4H (0.47) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL1538898 0.59 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6111040-A Process for the production of olefinic polymers NIPPON MITSUBISHI OIL CORPORATION (JP) 2000-08-29 US disclosed
EP-0745616-B1 Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO LTD (JP) 1999-04-07 EP disclosed
US-5750454-A Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0748823-A1 Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO. LTD. (JP) 1996-12-18 EP disclosed
EP-0745616-A1 Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO. LTD. (JP) 1996-12-04 EP disclosed