SCHEMBL27692114

SCHEMBL27692114

O=C(O)c1cc(CCCC2CCC(Cl)CC2)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 9/20 0.37
▸ FAAH O00519 1/20 0.36
▸ CCR5 P51681 1/20 0.33
▸ SLC18A3 Q16572 1/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ TPMT P51580 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ CTRC Q99895 1/20 0.32

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
SCHEMBL27692208 0.86 LNPEP (0.36) LNPEPFAAHCCR5SLC18A3OPRK1
SCHEMBL27712207 0.86 MCL1 (0.41) LNPEPSLC18A3MCL1
SCHEMBL28133767 0.83 GPR84 (0.38) TPMT
SCHEMBL27975645 0.77 DAO (0.45) —
SCHEMBL28138572 0.76 DAO (0.48) MCL1
SCHEMBL19301513 0.74 FOLH1 (0.46) SLC18A3
SCHEMBL27782015 0.72 GRIK1 (0.45) TPMT
SCHEMBL2197741 0.72 PPM1D (0.53) CCR5SLC18A3MCL1
SCHEMBL16749638 0.71 CA12 (0.48) TPMT
SCHEMBL27710784 0.71 TPMT (0.40) TPMTCTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128435-A Pyrazolone compounds as metabotropic glutamate receptor agonists for the treatment of neurological and psychiatric disorders ASTRAZENECA AB (SE) 2008-02-20 — — CN disclosed
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