SCHEMBL11503302

SCHEMBL11503302

CCC1=CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.57
SIGMAR1 Q99720 2/20 0.46
CES1 P23141 1/20 0.39
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
G6PC1 P35575 1/20 0.36
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SETD7 Q8WTS6 1/20 0.35
HTR6 P50406 3/20 0.35
CYP1A2 P05177 2/20 0.35
ADRB2 P07550 2/20 0.35
RET P07949 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
ADRB1 P08588 2/20 0.35
HTR1A P08908 2/20 0.35
CHRM5 P08912 2/20 0.35

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
SCHEMBL9235448 0.85 SIGMAR1 (0.50) MPOSIGMAR1CES1
SCHEMBL5614129 0.80 SIGMAR1 (0.53) MPOSIGMAR1HTT
SCHEMBL7837577 0.80 SIGMAR1 (0.46) MPOSIGMAR1CES1G6PC1CYP2A6
SCHEMBL29446311 0.80 SIGMAR1 (0.46) MPOSIGMAR1CES1G6PC1CYP2A6
SCHEMBL5489164 0.80 SIGMAR1 (0.46) MPOSIGMAR1CES1G6PC1CYP2A6
SCHEMBL28424372 0.80 SIGMAR1 (0.46) MPOSIGMAR1CES1G6PC1CYP2A6
SCHEMBL6825529 0.80 SIGMAR1 (0.46) MPOSIGMAR1CES1G6PC1CYP2A6
SCHEMBL9379776 0.80 SIGMAR1 (0.46) MPOSIGMAR1CES1G6PC1CYP2A6
SCHEMBL20824984 0.79 SIGMAR1 (0.43) MPOSIGMAR1CES1HTR6CYP1A2
SCHEMBL6552816 0.79 HTR6 (0.53) MPOCES1CYP19A1CYP11B1CYP11B2

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
US-4137419-A FROM AN INDENE OR DIHYDRONAPHTHALENE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-01-30 US disclosed