SCHEMBL11903449

SCHEMBL11903449

CCC(CC)COc1ccc([C@@H](O)C(N)=O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 2/20 0.48
▸ HIF1A Q16665 1/20 0.44
▸ PARP10 Q53GL7 4/20 0.40
▸ PARP15 Q460N3 3/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ ADRA2A P08913 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ PARP14 Q460N5 1/20 0.36

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
SCHEMBL11903588 0.84 GPR88 (0.44) GPR88PARP10SMN1; SMN2
SCHEMBL15121674 0.79 GPR88 (0.50) GPR88HIF1AMAPK1ADRA2AADRA1A
SCHEMBL11903612 0.76 FFAR1 (0.43) GPR88PARP10LMNAFFAR1ADRA1A
SCHEMBL6873511 0.73 GPR88 (0.57) GPR88HIF1ALMNAMAPK1FFAR1
SCHEMBL1554247 0.72 GPR88 (0.60) GPR88HIF1ALMNAMAPK1TAS1R3
SCHEMBL6686922 0.71 ALDH1A1 (0.61) GPR88MAPK1KDM4ECYP1A2
SCHEMBL4860223 0.69 CA1 (0.50) LMNAKDM4ECYP1A2SMN1; SMN2
SCHEMBL27546842 0.69 GPR88 (0.47) GPR88HIF1AFFAR1SMN1; SMN2
SCHEMBL27567026 0.68 GPR88 (0.43) GPR88HIF1AFFAR1KDM4ESMN1; SMN2
SCHEMBL12436446 0.68 PPARG (0.50) GPR88HIF1ALMNAMAPK1KDM4E

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
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 — — EP disclosed
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