SCHEMBL6949968

SCHEMBL6949968

COc1ccccc1C1C=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HTR2C P28335 3/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD11B1 P28845 4/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL7446501 0.84 KDM4E (0.49) CA1CA2CA7CA9CA12
SCHEMBL29386938 0.78 NFKB1 (0.44) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL8461619 0.75 EDNRA (0.44) CA1CA2CA7CA9CA12
SCHEMBL7297110 0.75 HTR1A (0.34) HTR2CMEN1KMT2AL3MBTL1MAPK1
SCHEMBL2830663 0.75 HTR2C (0.37) HTR2CDRD2HTR2AHTR2BKDM4E
SCHEMBL29386036 0.74 HTR2A (0.39) HTR2CMEN1KMT2ADRD2HTR2A
SCHEMBL19630560 0.74 HTR2A (0.39) HTR2CMEN1KMT2ADRD2HTR2A
Syringol SCHEMBL7939382 0.73 CA12 (0.34) CA1CA2CA7CA9CA12
SCHEMBL8865153 0.71 GID4 (0.46) HTR2CMEN1KMT2AHTR2AHTR2B
SCHEMBL27460809 0.71 HTR2A (0.40) HTR2CMEN1KMT2ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed