SCHEMBL8192018

SCHEMBL8192018

CC(C)(CO[Ti](Cl)(Cl)OCC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
KCNA5 P22460 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
KCNN4 O15554 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL8196682 0.88 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15TSHR
SCHEMBL8183319 0.88 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15TSHR
SCHEMBL7597865 0.83 TAAR1 (0.52) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8190355 0.81 TAAR1 (0.50) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL42638 0.80 TAAR1 (0.58) TAAR1MAPK1ALDH1A1ALOX15TSHR
SCHEMBL8190597 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8192851 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8196801 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8183340 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8191171 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19

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