SCHEMBL8196801

SCHEMBL8196801

CC(C)(CO[Ti](Br)(Br)Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

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
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNN4 O15554 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
TACR1 P25103 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 1/20 0.32
MAPT P10636 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
SCHEMBL8190355 0.89 TAAR1 (0.50) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8191171 0.88 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL7597865 0.83 TAAR1 (0.52) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL42638 0.80 TAAR1 (0.58) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8192018 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8190597 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8196682 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8192851 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8183319 0.79 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8183340 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