SCHEMBL5830907

SCHEMBL5830907

O=POc1ccc(C(=O)O)cc1C(=O)Oc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
CFD P00746 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
TPMT P51580 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
FOLH1 Q04609 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 4/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL28091450 0.91 CA12 (0.47) KDM4ERAB9AALDH1A1TSHRGAA
SCHEMBL5830313 0.82 ESR1 (0.47) KDM4ERAB9AALDH1A1TSHRGAA
SCHEMBL11275036 0.80 ESR1 (0.50) KDM4ERAB9AALDH1A1TSHRGAA
SCHEMBL11278084 0.80 KDM4E (0.54) KDM4ERAB9AALDH1A1TSHRGAA
SCHEMBL5831084 0.78 ESR1 (0.37) KDM4EALDH1A1TSHRCFDHSD17B10
SCHEMBL28040875 0.77 CA12 (0.47) KDM4ERAB9AALDH1A1TSHRGAA
SCHEMBL5830303 0.76 KDM4E (0.66) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL5030128 0.74 TSHR (0.49) KDM4ERAB9AALDH1A1TSHRGAA
SCHEMBL2588487 0.73 CA12 (0.53) KDM4ERAB9AALDH1A1TSHRGAA
SCHEMBL5830193 0.72 POLB (0.40) KDM4ERAB9AALDH1A1TSHRGAA

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