SCHEMBL8766309

SCHEMBL8766309

[CH2]COOC(C)(C)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
TAAR1 Q96RJ0 1/20 0.39
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
KCNN4 O15554 4/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL8765060 0.81 MAPK1 (0.55) MAPK1ALDH1A1ALOX15TAAR1CYP2C19
SCHEMBL28682767 0.81 MAPK1 (0.67) MAPK1ALDH1A1ALOX15TAAR1CYP2C19
SCHEMBL9244855 0.80 MAPK1 (0.59) MAPK1ALDH1A1ALOX15TAAR1CYP2C19
SCHEMBL27506519 0.79 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TAAR1CYP2C19
SCHEMBL8939342 0.79 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TAAR1CYP2C19
Benzene SCHEMBL25312146 0.79 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TAAR1CYP2C19
SCHEMBL15450 0.79 MAPK1 (1.00) MAPK1ALDH1A1ALOX15TAAR1CYP2C19
Propane SCHEMBL481265 0.78 MAPK1 (0.85) MAPK1ALDH1A1ALOX15TAAR1CYP2C19
SCHEMBL12599027 0.78 MAPK1 (0.61) MAPK1ALDH1A1ALOX15TAAR1CYP2C19
SCHEMBL11222460 0.78 MAPK1 (0.61) MAPK1ALDH1A1ALOX15TAAR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785964-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
WO-1996011970-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed