SCHEMBL28611018

SCHEMBL28611018

CCC(CC)(OC(=O)CCCC(=O)OC(CC)(CC)C(CC(C)C)CC(C)C)C(CC(C)C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.33
PAM P19021 2/20 0.31
CAPN1 P07384 1/20 0.31
MAPK1 P28482 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
SCHEMBL28597213 0.82 TSHR (0.39) TSHRLMNAMAPTPAMMAPK1
SCHEMBL28613539 0.82 LMNA (0.33) TSHRLMNAMAPTMAPK1
SCHEMBL17010847 0.75 LMNA (0.47) TSHRLMNAMAPTPAMMAPK1
SCHEMBL28611662 0.70 TSHR (0.35) TSHRLMNAMAPTMAPK1
SCHEMBL491457 0.67 LMNA (0.47) TSHRLMNAMAPTMAPK1
SCHEMBL16021725 0.67 EGLN1 (0.42) TSHRLMNA
SCHEMBL20057408 0.66 CA1 (0.37) CAPN1
SCHEMBL28589042 0.65 TSHR (0.52) TSHRLMNA
SCHEMBL20880267 0.65 TSHR (0.37) TSHRLMNAMAPTCAPN1
SCHEMBL29723332 0.64 LMNA (0.41) TSHRLMNAMAPTMAPK1

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
CN-113179643-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2021-07-27 CN disclosed