SCHEMBL11904852

SCHEMBL11904852

Cc1cc(O[C@H](C)CCCC(N)=O)ccc1[CH]CO

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ ABL1 P00519 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ FKBP1A P62942 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ MET P08581 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ LNPEP Q9UIQ6 1/20 0.30
▸ S1PR1 P21453 1/20 0.30

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
SCHEMBL15134967 0.81 GPR88 (0.36) GPR88SMN1; SMN2DPP4FKBP1APDE3B
SCHEMBL6846774 0.77 LTA4H (0.44) GPR88PPARGPPARAMAPTPARP10
SCHEMBL11904813 0.75 GPR88 (0.37) TDP1GPR88SMN1; SMN2FKBP1A
SCHEMBL15121608 0.75 GPR88 (0.37) TDP1GPR88SMN1; SMN2FKBP1A
SCHEMBL31664398 0.65 SMN1; SMN2 (0.43) TDP1SMN1; SMN2MAPT
SCHEMBL20382500 0.65 HTT (0.51) TDP1MAPTPARP10
SCHEMBL15121643 0.65 KMT2A (0.39) TDP1GPR88SMN1; SMN2DPP4
SCHEMBL353033 0.65 MTNR1A (0.53) GPR88SMN1; SMN2MAPTPARP10MTNR1A
SCHEMBL11904853 0.64 GPR88 (0.43) TDP1GPR88SMN1; SMN2PPARGPPARA
SCHEMBL28884153 0.63 ABL1 (0.39) TDP1SMN1; SMN2ABL1MTNR1A

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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