SCHEMBL8327489

SCHEMBL8327489

COC(=O)c1ccc(CCc2cc(S(C)(=O)=O)ccc2OCc2ccccc2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
PTGER1 P34995 2/20 0.41
ABCB1 P08183 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8321603 0.86 PTGER1 (0.54) LMNAHPGDMTNR1AMTNR1BMAPT
SCHEMBL8319729 0.85 ABCB1 (0.56) LMNAHPGDFFAR4PTGER1ABCB1
SCHEMBL8322935 0.85 CCR5 (0.49) LMNAHPGDPTGER1HTT
SCHEMBL8324955 0.85 MTNR1A (0.59) MTNR1AMTNR1BABCB1HTR1ADRD2
SCHEMBL8676599 0.80 TDP1 (0.49) LMNAMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL8324057 0.79 PTGER4 (0.59) LMNAHPGDMTNR1AMTNR1BFFAR4
SCHEMBL8327493 0.78 MAPT (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL8326786 0.78 PTGER1 (0.42) LMNAHPGDMTNR1AMTNR1BMAPT
SCHEMBL8676600 0.78 PTGER1 (0.48) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL6258777 0.77 HSP90AA1 (0.50) LMNAHPGDCYP2C9CYP2C19SMN1; SMN2

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
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed