SCHEMBL8192589

SCHEMBL8192589

CC(C)(C[Ti](I)(I)CC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
KCNN4 O15554 4/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNA5 P22460 1/20 0.33
P2RX7 Q99572 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
SCHEMBL8182485 0.86 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8182570 0.86 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL272389 0.81 TAAR1 (0.56) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8190925 0.77 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8195410 0.77 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL7589272 0.77 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8192312 0.77 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8196946 0.77 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8390156 0.77 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8191136 0.77 TAAR1 (0.52) TAAR1MAPK1CYP2C19HIF1AALDH1A1

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