SCHEMBL9417833

SCHEMBL9417833

CCc1cc(C(=O)c2ccccc2C(=O)O)c(O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SHBG P04278 1/20 0.52
KDM4E B2RXH2 5/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HSD17B10 Q99714 5/20 0.48
LMNA P02545 5/20 0.48
ALOX15 P16050 4/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 4/20 0.48
MAPK1 P28482 3/20 0.48
HTT P42858 2/20 0.48

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
SCHEMBL9417898 0.84 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL9417837 0.83 LMNA (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1SHBG
SCHEMBL30096449 0.83 KDM4E (0.51) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL22939100 0.83 ALDH1A1 (0.71) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL22939099 0.83 ALDH1A1 (0.71) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL31335625 0.82 MAPT (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1SHBG
SCHEMBL12553675 0.82 MAPT (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1SHBG
SCHEMBL14056584 0.81 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL4012873 0.81 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL18944073 0.79 KMT2A (0.63) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294613-A Benzene derivatives of p-substituted ether and acid or ester ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
US-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
US-4945099-A LEUKOTRIENE ANTAGONIST ELI LILLY AND COMPANY (US) 1990-07-31 US disclosed
EP-0276065-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-06-06 EP disclosed
EP-0276065-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 EP disclosed