SCHEMBL8191967

SCHEMBL8191967

c1ccc(CO[Ti](Cc2ccccc2)(Cc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL8196042 0.81 TSHR (0.50) TSHRIDO1AGXTSLC6A2SLC6A3
SCHEMBL8191869 0.81 TSHR (0.50) TSHRIDO1AGXTSLC6A2SLC6A3
SCHEMBL6911286 0.79 TP53 (0.44) TSHRIDO1AGXTTDP1ALDH1A1
SCHEMBL194735 0.77 TSHR (0.57) TSHRIDO1AGXTSLC6A2SLC6A3
SCHEMBL6914894 0.76 LMNA (0.41) TSHRTDP1KMT2AALDH1A1LMNA
SCHEMBL7593402 0.75 TSHR (0.55) TSHRIDO1AGXTSLC6A2SLC6A3
SCHEMBL8190591 0.74 ALOX15 (0.38) TSHRIDO1KMT2AALDH1A1RAB9A
SCHEMBL7591593 0.73 TSHR (0.52) TSHRIDO1AGXTSLC6A2SLC6A3
SCHEMBL7592098 0.73 TSHR (0.52) TSHRIDO1AGXTSLC6A2SLC6A3
SCHEMBL7174120 0.73 TP53 (0.42) TSHRIDO1AGXTTDP1ALDH1A1

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