SCHEMBL8444601

SCHEMBL8444601

CC(CNC(=O)OC(C)(C)C)CC(OC(=O)CCCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
HPGD P15428 1/20 0.44
SYK P43405 1/20 0.43
CTSK P43235 3/20 0.41
CTSS P25774 1/20 0.41
FAAH O00519 5/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.39
ACE P12821 2/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL31384049 0.85 ADRB2 (0.49) ADRB2ADRB1ADRB3SIGMAR1HPGD
SCHEMBL7304728 0.78 FAAH (0.50) ADRB2ADRB1ADRB3HPGDFAAH
SCHEMBL9800442 0.78 FAAH (0.50) ADRB2ADRB1ADRB3HPGDFAAH
SCHEMBL10238709 0.74 ATM (0.56) SYKCTSKCTSSATMACE
SCHEMBL2736627 0.74 ATM (0.56) SYKCTSKCTSSATMACE
SCHEMBL7832583 0.74 ADRB2 (0.41) ADRB2ADRB1ADRB3HPGDFAAH
SCHEMBL10578604 0.72 HDAC1 (0.56) ADRB2ADRB1ADRB3SIGMAR1HPGD
SCHEMBL6961625 0.72 SYK (0.47) SYKCTSKCTSSATMACE
SCHEMBL17844769 0.72 ADRB2 (0.49) ADRB2ADRB1ADRB3SIGMAR1CTSK
SCHEMBL18085403 0.72 CTSK (0.54) SIGMAR1HPGDSYKCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869786-A4 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 1999-04-14 EP disclosed
EP-0869786-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1998-10-14 EP disclosed
WO-1997023211-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-07-03 WO disclosed