SCHEMBL7414654

SCHEMBL7414654

CC1=CC(Cc2ccccc2)C(=O)C(CC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
FFAR1 O14842 3/20 0.36
PPARD Q03181 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DGAT1 O75907 1/20 0.34
CYP19A1 P11511 1/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7414659 0.78 CHRM4 (0.40) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL7415999 0.74 CTSK (0.45)
SCHEMBL7416005 0.73 HTT (0.44) L3MBTL1LMNASMN1; SMN2
SCHEMBL7413750 0.72 ACE (0.39) DDB1CRBN
SCHEMBL2763746 0.69 TP53 (0.38) L3MBTL1TP53FFAR1PPARDMAPT
SCHEMBL10780374 0.65 AKR1C4 (0.35) FFAR1PPARDLMNAMAPTSMN1; SMN2
SCHEMBL10642729 0.63 TP53 (0.56) L3MBTL1TP53FFAR1KDM4EMAPT
SCHEMBL29016897 0.63 DDB1 (0.61) DDB1CRBNCYP19A1
SCHEMBL10774081 0.62 OAT (0.34) L3MBTL1TP53FFAR1LMNAMAPT
SCHEMBL27657157 0.62 DDB1 (0.55) DDB1CRBNCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438118-A Peptide mimics having constrained peptide backbone SMITHKLINE BEECHMAN CORP. (US) 1995-08-01 US disclosed
EP-0559793-A4 1994-04-27 EP disclosed
EP-0559793-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-15 EP disclosed
WO-1992009297-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-11 WO disclosed