SCHEMBL4452437

SCHEMBL4452437

COC(Oc1cc[c]cc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.35
SLC6A4 P31645 6/20 0.34
KMT2A Q03164 2/20 0.32
CA4 P22748 1/20 0.32
EPHX1 P07099 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACP3 P15309 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
SLC6A2 P23975 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PMP22 Q01453 1/20 0.30
FFAR1 O14842 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
SCHEMBL2035765 0.86 CA4 (0.44) SLC6A4KMT2ACA4EPHX1THRB
SCHEMBL8678809 0.81 SLC6A4 (0.35) PBRM1SLC6A4KMT2AMEN1TSHR
SCHEMBL11844525 0.79 LTA4H (0.52) SLC6A4ALDH1A1TSHR
SCHEMBL7423024 0.78 LTA4H (0.45) KMT2AACP3IDO1TDO2SLC6A2
SCHEMBL864142 0.77 FFAR1 (0.49) FFAR1
SCHEMBL6499230 0.76 SRD5A2 (0.49) SLC6A4IDO1TDO2SLC6A2CYP1A2
SCHEMBL6776324 0.75
SCHEMBL10446346 0.75 ALDH1A1 (0.42) SLC6A4KMT2AALDH1A1SLC6A2MEN1
SCHEMBL26689 0.75 KMT2A (0.44) KMT2ACA4EPHX1THRBIDO1
SCHEMBL15688617 0.74 ALDH1A3 (0.53) KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP claimed
JP-2007526230-A 2007-09-13 JP claimed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP claimed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO claimed
EP-1089981-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS. Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP claimed
WO-1999067220-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed