SCHEMBL4176607

SCHEMBL4176607

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CYP3A4 P08684 1/20 0.42
KCNN4 O15554 4/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2B6 P20813 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
Tert-Butylbenzene SCHEMBL2568053 0.71 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL337648 0.71 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL430941 0.71 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL35881 0.71 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL14910456 0.71 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL96177 0.71 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL18889 0.71 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264599 0.71 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264597 0.71 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL1058732 0.71 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1

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
US-20090076180-A1 Epoxy resin composition using latent curing agent and curable by photo and heat in combination NAMICS CORPORATION (JP) 2009-03-19 US disclosed