SCHEMBL21753853

SCHEMBL21753853

[CH2]C(CCC1CCCCC1)C1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.41
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 3/20 0.35
EPHX1 P07099 2/20 0.34
SHBG P04278 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.32

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
SCHEMBL14931538 1.00 METAP1 (0.41) METAP1CYP1A2SIGMAR1EPHX1SHBG
SCHEMBL4449485 1.00 METAP1 (0.41) METAP1CYP1A2SIGMAR1EPHX1SHBG
SCHEMBL21753846 0.95 METAP1 (0.37) METAP1CYP1A2SIGMAR1EPHX1SHBG
SCHEMBL5707369 0.93 METAP1 (0.34) METAP1CYP1A2EPHX1SHBG
SCHEMBL28405594 0.88 METAP1 (0.31) METAP1
SCHEMBL4675951 0.76 EPHX1 (0.37) CYP1A2EPHX1SHBGTP53
SCHEMBL2992784 0.76 EPHX1 (0.48) METAP1CYP1A2SIGMAR1EPHX1SHBG
SCHEMBL2990994 0.76 METAP1 (0.44) METAP1CYP1A2SIGMAR1EPHX1SHBG
SCHEMBL9213591 0.76 EPHX1 (0.37) EPHX1SHBGTP53
SCHEMBL6873952 0.76 EPHX1 (0.37) CYP1A2EPHX1SHBGTP53

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