SCHEMBL10883172

SCHEMBL10883172

COC(=O)c1cc2c(cc1OCc1ccccc1)CCC(N)C2=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT5 O14744 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HTT P42858 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39

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
Hydrochloric Acid SCHEMBL10881926 0.99 FAAH (0.41) FAAHLMNAHPGDACHENPC1
SCHEMBL10881168 0.88 ACHE (0.42) FAAHLMNAHPGDACHENPC1
SCHEMBL21092400 0.84 MAOB (0.43) HPGDNPC1RAB9AALDH1A1
SCHEMBL10879509 0.81 FAAH (0.46) FAAHLMNAHPGDACHENPC1
SCHEMBL10880568 0.81 MAOA (0.58) LMNAHPGDALDH1A1
SCHEMBL10882709 0.79 NPC1 (0.42) FAAHLMNAHPGDNPC1PKM
Hydrochloric Acid SCHEMBL10878890 0.78 NPC1 (0.41) FAAHLMNAHPGDNPC1PKM
SCHEMBL10879784 0.77 MAPT (0.55) LMNAHPGDNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL10881949 0.77 NPC1 (0.40) LMNAHPGDNPC1PKMRAB9A
SCHEMBL9621088 0.76 NPC1 (0.43) ACHENPC1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0109815-B1 IMPROVEMENTS IN AND RELATING TO SUBSTITUTED TETRAHYDRONA PHTHALENES ELI LILLY AND COMPANY (US) 1986-05-28 EP disclosed
EP-0109815-A1 Improvements in and relating to substituted tetrahydrona phthalenes ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed