SCHEMBL7034332

SCHEMBL7034332

CCOc1ccc(CCc2cc(C)ccc2S(=O)(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.44
GPR84 Q9NQS5 1/20 0.42
MAPT P10636 1/20 0.42
CNR2 P34972 1/20 0.41
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
KAT6A Q92794 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL7025423 0.92 CTDSP1 (0.45) CTDSP1GPR84MAPTCNR2SLC5A1
SCHEMBL10346035 0.88 CTDSP1 (0.45) CTDSP1MAPTKAT6AKMT2AMEN1
SCHEMBL10372347 0.86 CALM1 (0.47) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7029322 0.86 DAO (0.40) GPR84MAPTSLC5A1SLC5A2KMT2A
SCHEMBL1180196 0.81 GAA (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL30823619 0.81 GAA (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL21465414 0.81 PTGES2 (0.45) MAPTCNR2KMT2AMEN1ALDH1A1
SCHEMBL1684413 0.81 PTGES2 (0.45) CTDSP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL5189165 0.80 TDP1 (0.45) MAPTCNR2KMT2AMEN1ALDH1A1
SCHEMBL14324363 0.80 PDIA6 (0.38) KMT2A

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-1042355-B1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AG (DE) 2003-02-12 EP disclosed
EP-1042355-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2000-10-11 EP disclosed
WO-1999033855-A1 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-08 WO disclosed