SCHEMBL7028019

SCHEMBL7028019

Cc1ccc(S(=O)(=O)O)c(CCCc2ccc(Cl)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.43
IDH1 O75874 2/20 0.43
CNR2 P34972 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 2/20 0.39
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CCR9 P51686 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL18917599 0.93 IGF1R (0.40) PTGES2IDH1KMT2AMEN1IGF1R
SCHEMBL21465414 0.92 PTGES2 (0.45) PTGES2CNR2KMT2AMEN1LMNA
SCHEMBL7028563 0.91 IGF1R (0.42) CNR2KMT2AMEN1IGF1RALOX15
SCHEMBL5676946 0.87 MEN1 (0.43) PTGES2CNR2KMT2AMEN1LMNA
SCHEMBL816601 0.87 GAA (0.39) KMT2AMEN1LMNACYP2C9TSHR
SCHEMBL30723203 0.87 GAA (0.39) KMT2AMEN1LMNACYP2C9TSHR
SCHEMBL29975298 0.83 GAA (0.39) KMT2AMEN1LMNACYP2C9TSHR
SCHEMBL5718625 0.83 GAA (0.39) KMT2AMEN1LMNACYP2C9TSHR
SCHEMBL18917603 0.83 TDP1 (0.40) KMT2AMEN1
SCHEMBL7029322 0.82 DAO (0.40) KMT2AMEN1IGF1RALOX15ALDH1A1

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