SCHEMBL8154382

SCHEMBL8154382

CC(C)C[B-](CC(C)C)(CC(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
ALOX12 P18054 2/20 0.35
ACHE P22303 1/20 0.35
TAAR1 Q96RJ0 7/20 0.34
SLC6A2 P23975 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 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
Lithium Ion SCHEMBL7108354 0.98 TDP1 (0.36) TDP1LMNATSHRALOX12ACHE
Tetrylammonium SCHEMBL7094915 0.88 CHRNB2 (0.35) TDP1LMNATSHRALDH1A1CYP3A4
SCHEMBL8757598 0.70 TP53 (0.41) LMNATSHRALOX12ACHEALDH1A1
Tetrylammonium SCHEMBL5925683 0.70 CHRNB2 (0.35) LMNATSHRALDH1A1CYP3A4SMN1; SMN2
Lithium Ion SCHEMBL4652452 0.69 TP53 (0.39) LMNATSHRALOX12ACHEALDH1A1
SCHEMBL1002546 0.67 TAAR1 (0.40) TDP1LMNATSHRALOX12ACHE
SCHEMBL7029427 0.66 TSHR (0.47) TDP1LMNATSHRALOX12ACHE
Tetraphenylphosphonium SCHEMBL11801717 0.65 HIF1A (0.36) LMNATSHRALOX12ACHE
Biphenyl SCHEMBL11503380 0.65 ALDH1A1 (0.53) LMNATSHRTAAR1SIGMAR1SLC6A4
SCHEMBL8756322 0.65 ALDH1A1 (0.37) TDP1LMNATSHRALOX12ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044777-A1 Molding method for corrosion-resistant FRP SHOWA DENKO KABUSHIKI KAISHA (JP) 2000-10-18 EP disclosed