SCHEMBL7900491

SCHEMBL7900491

CC([O])CCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 1/20 0.52
SIGMAR1 Q99720 3/20 0.50
HRH3 Q9Y5N1 1/20 0.45
CES2 O00748 1/20 0.45
SOX18 P35713 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
BCHE P06276 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL26846103 0.85 HTR2A (0.56) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL2482277 0.81 HTR2A (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL28648389 0.81 HTR2A (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL24851230 0.81 HTR2A (0.53) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL6301138 0.81 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL28643346 0.79 HTR2A (0.50) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL8333794 0.78 CYP1A2 (0.50) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL18951598 0.78 GRIN2D (0.62) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL29560700 0.77 CYP1A2 (0.65) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL6240981 0.77 CYP1A2 (0.65) HTR2AHTR2CHTR2BCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211397-B1 CHLORINATION OF PHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0603225-B1 PROCESS FOR PRODUCING alpha-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES BASF AG (DE) 1997-06-04 EP disclosed
EP-0603225-A1 PROCESS FOR PRODUCING -g(a)-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES. BASF AG (DE) 1994-06-29 EP disclosed
WO-1993005053-A1 PROCESS FOR PRODUCING α-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES BASF AKTIENGESELLSCHAFT (DE) 1993-03-18 WO disclosed