SCHEMBL6556703

SCHEMBL6556703

C=CC(=O)OCCCc1cc(C(=O)O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 2/20 0.49
THRB P10828 4/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1B10 O60218 3/20 0.34
AKR1B1 P15121 3/20 0.34
THRA P10827 1/20 0.33
GAA P10253 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL1263541 0.91 THRB (0.47) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL10890546 0.81 TSHR (0.50) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL10892751 0.81 TSHR (0.50) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL12386663 0.81 TSHR (0.50) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL4653255 0.81 THRB (0.39) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL30996364 0.81 THRB (0.55) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9767720 0.80 TSHR (0.59) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL9634868 0.78 TSHR (0.52) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL7474574 0.78 TSHR (0.45) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL2193856 0.78 TDP1 (0.48) TSHRALDH1A1CYP3A4THRBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843184-B1 Ocular lens material MENICON CO LTD (JP) 2004-03-03 EP disclosed
EP-0947856-A2 Ocular lens material Menicon Co., Ltd. (JP) 1999-10-06 EP disclosed
US-5811502-A CONTAINING COPOLYMERS OF METHACRYLIC ESTERS AND HAVING OXYGEN PERMEABILITY, SUFFICIENT HARDNESS AND WETTABILITY MENICON CO., LTD. (JP) 1998-09-22 US disclosed
EP-0843184-A2 Ocular lens material Menicon Co., Ltd. (JP) 1998-05-20 EP disclosed