SCHEMBL5807375

SCHEMBL5807375

[CH2]C(Cc1ccccc1)NC1COCCO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
CTSL P07711 1/20 0.34
MMP8 P22894 1/20 0.34
PPARG P37231 1/20 0.32
GRIN2B Q13224 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
SLC18A2 Q05940 1/20 0.31
KDM1A O60341 1/20 0.31
EPHX1 P07099 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4675704 0.74 EPHX1 (0.33) SIGMAR1CTSLPPARGTAAR1EPHX1
SCHEMBL27469602 0.73 GRIN2B (0.41) GRIN2BKDM1A
SCHEMBL10979780 0.71 SIGMAR1 (0.34) SIGMAR1CTSLMMP8PPARGTAAR1
SCHEMBL15848206 0.71 EPHX1 (0.44) SIGMAR1TAAR1SLC18A2EPHX1
SCHEMBL497585 0.69 SIGMAR1 (0.46) SIGMAR1TAAR1SLC18A2
SCHEMBL10403496 0.68 EPHX1 (0.41) SIGMAR1TAAR1EPHX1
SCHEMBL2452705 0.68 CYP1A2 (0.34) CTSLMMP8PPARG
Hydrochloric Acid SCHEMBL28154419 0.66 NPC1 (0.38) MAPT
SCHEMBL4244385 0.65 EPHX1 (0.40) SIGMAR1TAAR1EPHX1
SCHEMBL11451574 0.65 MEN1 (0.45) PPARG

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed