SCHEMBL9064416

SCHEMBL9064416

CCC(CC)C(C)(CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
KIF11 P52732 1/20 0.39
KCNN4 O15554 1/20 0.39
MAPK1 P28482 1/20 0.38
ESR1 P03372 3/20 0.37
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2D O15399 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN2B Q13224 2/20 0.35
ESR2 Q92731 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5476175 0.87 TAAR1 (0.38) TAAR1KIF11KCNN4MAPK1ESR1
SCHEMBL11741048 0.80 CYP2C19 (0.42) TAAR1KCNN4MAPK1ESR1CYP2C19
SCHEMBL20411135 0.78 TAAR1 (0.40) TAAR1KIF11KCNN4MAPK1ESR1
SCHEMBL28312127 0.78 GRIN1 (0.42) TAAR1KCNN4MAPK1ESR1CYP2C19
SCHEMBL8677180 0.78 CYP2C19 (0.41) TAAR1KIF11KCNN4MAPK1ESR1
SCHEMBL10325656 0.78 LMNA (0.41) TAAR1KCNN4MAPK1ESR1CYP2C19
SCHEMBL16542076 0.78 PTGES (0.38) KIF11CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL20859677 0.77 TAAR1 (0.39) TAAR1KIF11KCNN4MAPK1ESR1
SCHEMBL4454908 0.76 GRIN1 (0.43) TAAR1KIF11KCNN4MAPK1LMNA
SCHEMBL6552914 0.76 KCNN4 (0.40) TAAR1KIF11KCNN4MAPK1LMNA

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-0708074-A1 Process for the preparation of pyromellitic anhydride MITSUBISHI OIL CO., LTD. (JP) 1996-04-24 EP disclosed