SCHEMBL2221686

SCHEMBL2221686

CC(C)(c1ccccc1)c1ccccc1O[Ti](Oc1ccccc1C(C)(C)c1ccccc1)(Oc1ccccc1C(C)(C)c1ccccc1)Oc1ccccc1C(C)(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.36
KCNN4 O15554 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR3C2 P08235 3/20 0.33
TAAR1 Q96RJ0 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL11646266 0.87 ALDH1A1 (0.33) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL30545314 0.82 ALDH1A1 (0.43) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL9331418 0.82 ALDH1A1 (0.43) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL28340972 0.82 ALDH1A1 (0.43) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL3988032 0.80 ALDH1A1 (0.42) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL1502798 0.79 ALDH1A1 (0.35) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL28101262 0.78 MAPK1 (0.50) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL10541515 0.78 ALDH1A1 (0.47) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL8714931 0.77 ATM (0.35) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL11429712 0.77 ALDH1A1 (0.39) ALDH1A1ESR1ESR2CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109971122-A Epoxy resin molding material for encapsulation and electronic part apparatus 日立化成株式会社 2019-07-05 CN disclosed
EP-2521762-A1 THERMALLY CONDUCTIVE SILICONE GREASE COMPOSITION Dow Corning Toray Co., Ltd. (JP) 2012-11-14 EP disclosed
WO-2011083880-A1 THERMALLY CONDUCTIVE SILICONE GREASE COMPOSITION DOW CORNING TORAY CO., LTD. (JP) 2011-07-14 WO disclosed