SCHEMBL20105321

SCHEMBL20105321

COCC1CO[C@H]2C(OC)CO[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 8/20 0.35
KDR P35968 8/20 0.35
EPHB4 P54760 8/20 0.35
ERBB2 P04626 6/20 0.35
FLT1 P17948 6/20 0.35
EGFR P00533 4/20 0.35
BCHE P06276 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17456251 1.00 EPHA2 (0.35) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL26383424 0.82 BCHE (0.36) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL24621365 0.82 BCHE (0.36) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL24621369 0.82 BCHE (0.36) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL16920596 0.80 BCHE (0.35) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL15887264 0.80 BCHE (0.35) EPHA2KDREPHB4ERBB2FLT1
SCHEMBL17252148 0.80 ALDH1A1 (0.42) BCHEALDH1A1
SCHEMBL301881 0.80 ALDH1A1 (0.42) BCHEALDH1A1
SCHEMBL22627598 0.80 ALDH1A1 (0.42) BCHEALDH1A1
SCHEMBL20613593 0.80 ALDH1A1 (0.42) BCHEALDH1A1

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-3143068-B1 THERMOPLASTIC AROMATIC POLYESTERS COMPRISING TETRAHYDROFURAN-DIMETHANOL AND FURANDICARBOXYLIC ACID MOTIFS ROQUETTE FRERES (FR) 2018-05-02 EP disclosed