SCHEMBL5831084

SCHEMBL5831084

O=POc1cc(C(=O)O)c(C(=O)O)cc1C(=O)Oc1cc(C(=O)O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 6/20 0.37
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CFD P00746 2/20 0.35
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.31
POLA1 P09884 1/20 0.31
ANTXR2 P58335 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28040892 0.89 LCK (0.42) KDM4EHSD17B10ALDH1A1HPGDLCK
SCHEMBL5830907 0.78 KDM4E (0.41) ESR1ESR2KDM4EHSD17B10ALDH1A1
SCHEMBL5830313 0.78 ESR1 (0.47) ESR1ESR2KDM4EHSD17B10ALDH1A1
SCHEMBL5830303 0.71 KDM4E (0.66) ESR1ESR2KDM4EHSD17B10ALDH1A1
SCHEMBL28091450 0.68 CA12 (0.47) KDM4EALDH1A1LMNACFDTSHR
SCHEMBL28040875 0.68 CA12 (0.47) ESR1ESR2KDM4EALDH1A1LMNA
SCHEMBL5830193 0.67 POLB (0.40) ESR1ESR2KDM4EALDH1A1TSHR
SCHEMBL5830869 0.67 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL10454989 0.67 CFD (0.54) ESR1ESR2KDM4EHSD17B10ALDH1A1
SCHEMBL65777 0.66 CFD (0.44) ESR1KDM4EHSD17B10ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144974-B2 Polyester production method, polyester composition, and polyester fiber TORAY INDUSTRIES, INC. (JP) 2006-12-05 US disclosed
US-20040266978-A1 Polyester production method, polyester composition, and polyester fiber TORAY INDUSTRIES, INC. (JP) 2004-12-30 US disclosed