SCHEMBL8734963

SCHEMBL8734963

[CH2]C=CC=CC(C)(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 5/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 4/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9858424 0.77 ALDH1A1 (0.41) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL737574 0.75 MAPK1 (0.44) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL10382218 0.73 MAPK1 (0.42) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL6151065 0.71 MAPK1 (0.41) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL95942 0.71 MAPK1 (0.41) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL7737435 0.71 MAPK1 (0.41) KCNN4MAPK1ALDH1A1TAAR1ALOX15
Hydrochloric Acid SCHEMBL28819316 0.71 MAPK1 (0.41) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL95943 0.71 MAPK1 (0.41) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL7737438 0.71 MAPK1 (0.41) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL6546422 0.70 CYP2C19 (0.50) MAPK1ALDH1A1TSHRCYP2C19

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-0874865-A1 MACROMONOMERES COMPOUNDS, THEIR PREPARATION FROM DIENIC COMPOUNDS AND USE THEREOF RHODIA CHIMIE (FR) 1998-11-04 EP disclosed
WO-1997026282-A1 MACROMONOMERES COMPOUNDS, THEIR PREPARATION FROM DIENIC COMPOUNDS AND USE THEREOF RHODIA CHIMIE (FR) 1997-07-24 WO disclosed