SCHEMBL4252800

SCHEMBL4252800

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CES1 P23141 2/20 0.34
ESRRG P62508 1/20 0.34
CES2 O00748 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
DEGS1 O15121 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33

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
SCHEMBL3442788 0.80 KDM1A (0.39) KDM1AALDH1A1ALOX15ESR1ESR2
SCHEMBL3442786 0.80 KDM1A (0.39) KDM1AALDH1A1ALOX15ESR1ESR2
SCHEMBL10587987 0.79 TSHR (0.40) ALDH1A1MAPTKMT2ACES1CES2
SCHEMBL10587991 0.79 TSHR (0.40) ALDH1A1MAPTKMT2ACES1CES2
SCHEMBL2989490 0.78 KDM1A (0.38) KDM1AALDH1A1ALOX15ESR1ESR2
SCHEMBL713860 0.77 KDM1A (0.42) KDM1AALDH1A1ESR1MAPK1KMT2A
SCHEMBL7551195 0.75 KDM1A (0.41) KDM1AALDH1A1ESR1MAPK1MAPT
SCHEMBL28792582 0.75 KDM1A (0.41) KDM1AALDH1A1ESR1MAPK1CES1
SCHEMBL9814341 0.75 KDM1A (0.41) KDM1AALDH1A1ESR1MAPK1MAPT
SCHEMBL10631105 0.72 TAAR1 (0.40) KDM1AALDH1A1ALOX15ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482419-B2 Silsesquioxane resin wax DOW CORNING CORPORATION (US) 2009-01-27 US disclosed
EP-1751215-B1 SILSESQUIOXANE RESIN WAX DOW CORNING (US) 2007-08-29 EP disclosed
US-20070149703-A1 Silsesquioxane resin wax DOW CORNING CORPORATION (US) 2007-06-28 US disclosed