SCHEMBL9417828

SCHEMBL9417828

C=CCc1cc(C(=O)CO)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ELANE P08246 4/20 0.47
PTGDR Q13258 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
EGFR P00533 1/20 0.45
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL9417793 0.88 KDM4E (0.43) NPC1HPGDRAB9ASMN1; SMN2ELANE
SCHEMBL9417931 0.87 MRGPRX4 (0.47) ELANEPTGER1PTGER4PTGER3PTGER2
SCHEMBL9528336 0.86 MRGPRX4 (0.53) NPC1HPGDRAB9ASMN1; SMN2ELANE
SCHEMBL9739697 0.81 NPC1 (0.56) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL9417760 0.81 KDM4E (0.50) SMN1; SMN2ELANEPTGDRPTGDR2KDM4E
SCHEMBL9734673 0.81 PTGDR (0.45) SMN1; SMN2ELANEPTGDRPTGDR2KDM4E
SCHEMBL9417839 0.80 KDM4E (0.46) SMN1; SMN2ELANEPTGDRPTGDR2KDM4E
SCHEMBL9417943 0.80 PTGDR (0.47) SMN1; SMN2ELANEPTGDRPTGDR2KDM4E
SCHEMBL27639554 0.79 PPARG (0.45) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL9733519 0.79 PTPN1 (0.56) ELANEKDM4EMEN1KMT2APTPN1

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
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