SCHEMBL7019197

SCHEMBL7019197

COCCC1=C(C)C(=O)C(C)=C(C(C)(C)CC(=O)O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.32
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
MAPK1 P28482 1/20 0.31
AVPR2 P30518 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2B P41595 1/20 0.31
HTT P42858 1/20 0.31
PDE3A Q14432 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SLC29A1 Q99808 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
APEX1 P27695 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
SCHEMBL7032327 0.84 ALOX15 (0.33) ALOX15TBXA2R
SCHEMBL7659952 0.78 PTPN1 (0.32)
SCHEMBL7023407 0.78 ALOX15 (0.33) ALOX15MAPTTBXA2RTDP1
SCHEMBL13937723 0.78 HMGCR (0.41) CYP2D6TBXA2RCYP2C19TDP1
SCHEMBL7029925 0.74 APEX1 (0.41) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL7025249 0.72 CYP2C19 (0.35) ALOX15CYP3A4CYP2D6CYP2C9TBXA2R
SCHEMBL7655800 0.70 PTPN1 (0.33) ALOX15
SCHEMBL7033924 0.70 HMGCR (0.31) CYP2D6TBXA2RCYP2C19
SCHEMBL7032917 0.69 CYP2C19 (0.39) ALOX15CYP3A4CYP2D6CYP2C9TBXA2R
SCHEMBL16858347 0.68 HPGD (0.39) MAPTCYP2C9CYP2C19HTTTDP1

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-1064253-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP claimed
EP-1064253-B1 ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6346633-B1 TERT-AMINOPHENYLESTER OF ACID ASTRAZENECA AB (SE) 2002-02-12 US disclosed