SCHEMBL21753846

SCHEMBL21753846

[CH2]C(CCC1CCC1)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.37
CYP1A2 P05177 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
HPGD P15428 1/20 0.31
EPHX1 P07099 1/20 0.30
SHBG P04278 1/20 0.30

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
SCHEMBL4449485 0.95 METAP1 (0.41) METAP1CYP1A2SIGMAR1HPGDEPHX1
SCHEMBL14931538 0.95 METAP1 (0.41) METAP1CYP1A2SIGMAR1HPGDEPHX1
SCHEMBL21753853 0.95 METAP1 (0.41) METAP1CYP1A2SIGMAR1HPGDEPHX1
SCHEMBL5707369 0.93 METAP1 (0.34) METAP1CYP1A2EPHX1SHBG
SCHEMBL28405594 0.93 METAP1 (0.31) METAP1
SCHEMBL9213385 0.73 EPHX1 (0.33) EPHX1SHBG
SCHEMBL8296257 0.73 EPHX1 (0.33) CYP1A2SIGMAR1EPHX1SHBG
SCHEMBL9697174 0.73
SCHEMBL2990994 0.71 METAP1 (0.44) METAP1CYP1A2SIGMAR1HPGDEPHX1
SCHEMBL4675951 0.71 EPHX1 (0.37) CYP1A2EPHX1SHBG

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
WO-2020040094-A1 POLYMER, COMPOSITION CONTAINING SAME, CURING METHOD THEREFOR, CURED PRODUCT THEREOF, AND POLYMER MANUFACTURING METHOD 株式会社ADEKA 2020-02-27 WO disclosed