SCHEMBL9417841

SCHEMBL9417841

CCCc1cc(C(=O)CO)ccc1OCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.52
MTNR1B P49286 2/20 0.48
LTB4R Q15722 1/20 0.47
PDE4A P27815 4/20 0.46
PDE4B Q07343 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
PPARG P37231 2/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
THRB P10828 1/20 0.43
MTNR1A P48039 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
SCHEMBL9739697 0.88 NPC1 (0.56) THRAMTNR1BNPC1RAB9AMTNR1A
SCHEMBL2422646 0.85 LTB4R (0.45) THRALTB4RPPARGPPARDPPARA
SCHEMBL10522356 0.85 LTB4R (0.56) THRALTB4RTHRB
SCHEMBL6935194 0.84 LTB4R (0.46) THRALTB4RPPARGPPARDPPARA
SCHEMBL6136991 0.84 LTB4R (0.44) THRALTB4RPPARGPPARDPPARA
SCHEMBL8777238 0.84 LTB4R (0.44) THRALTB4RPPARGPPARDPPARA
SCHEMBL9387348 0.82 LTB4R (0.48) THRALTB4RTHRB
SCHEMBL6934988 0.82 LTB4R (0.42) THRALTB4RPPARGPPARDPPARA
Hydrochloric Acid SCHEMBL9417918 0.81 LTB4R (0.45) THRALTB4RPPARGPPARDPPARA
SCHEMBL5711634 0.80 LTB4R (0.53) THRALTB4RTHRB

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