SCHEMBL9723671

SCHEMBL9723671

CC1CC1=Cc1ccccc1.c1ccc2c(c1)CCC2=C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MIF P14174 3/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 7/20 0.35
CYP11B2 P19099 7/20 0.35
CYP11B1 P15538 4/20 0.35
HPGD P15428 1/20 0.35
SRD5A1 P18405 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
MAOA P21397 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
SCHEMBL110502 0.77 CES1 (0.48) MAOBHPGDSRD5A1SIGMAR1MAOA
Styrene SCHEMBL37188 0.77 ALDH1A1 (0.45) MAOBMIFMAPTCYP19A1CYP11B2
SCHEMBL118039 0.75 CHRNB2 (0.46) MAOBMAPTCYP2D6CYP19A1CYP11B2
SCHEMBL8662164 0.72 CES1 (0.46) MAOBHPGDSRD5A1SIGMAR1MAOA
SCHEMBL7939095 0.71 HPGD (0.41) MAOBMAPTCYP2D6CYP19A1CYP11B2
Styrene SCHEMBL49930 0.70 ALDH1A1 (0.41) MAOBMIFMAPTCYP2D6CYP19A1
SCHEMBL7621701 0.70 TSHR (0.52) MAOBHPGDSRD5A1SIGMAR1MAOA
Styrene SCHEMBL2969393 0.69 ALDH1A1 (0.37) MAOBMIFMAPTCYP2D6SRD5A1
Butadiene SCHEMBL4458837 0.69 HPGD (0.41) MAPTCYP2D6CYP19A1CYP11B2HPGD
Bicarbonate SCHEMBL14660281 0.69 HPGD (0.41) MAPTCYP2D6CYP19A1CYP11B2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498907-A1 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-19 EP disclosed