SCHEMBL6895362

SCHEMBL6895362

CCC(c1ccccc1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.52
LTA4H P09960 3/20 0.47
HTR2A P28223 6/20 0.45
HRH1 P35367 5/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
IDH1 O75874 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL12506256 0.86 HTR2A (0.56) HTR2AHRH1LMNATDP1
SCHEMBL3634935 0.84 TP53 (0.56) HTR2AHRH1LMNATDP1TP53
SCHEMBL15347956 0.84 HTR2A (0.53) HTR2AHRH1LMNATDP1SLC6A2
SCHEMBL54346 0.83 HTR2A (0.59) HTR2AHRH1LMNATDP1
Dimethylamine SCHEMBL8170436 0.81 HTR2A (0.54) HTR2AHRH1LMNATDP1CYP1A2
Ammonia Solution, Strong SCHEMBL10389261 0.81 HTR2A (0.56) HTR2AHRH1LMNATDP1CYP1A2
Ammonia Solution, Strong SCHEMBL5683105 0.81 HTR2A (0.56) HTR2AHRH1LMNATDP1CYP1A2
SCHEMBL29268835 0.81 HTR2A (0.56) HTR2AHRH1LMNATDP1CYP1A2
Phosphine SCHEMBL28948486 0.81 HTR2A (0.56) HTR2AHRH1LMNATDP1CYP1A2
Methane SCHEMBL28250836 0.81 HTR2A (0.56) HTR2AHRH1LMNATDP1CYP1A2

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
EP-1289920-B1 METHOD FOR THE PRODUCTION OF ACROLEIN OR ACRYLIC ACID OR THE MIXTURE THEREOF FROM PROPANE BASF AG (DE) 2004-09-15 EP disclosed
US-6781017-B2 Propane is subjected, in a first reaction stage, to a partial dehydrogenation in presence of a catalyst to form a product which is propylene, hydrogen and propane, separating hydrogen, oxidizing propylene to form acrolin and/or acrylic acid BASF AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20030181762-A1 Method for the production of acrolein or acrylic acidk or the mixutre thereof from propane BASF AKTIENGESELLSCHAFT (DE) 2003-09-25 US disclosed