SCHEMBL6986223

SCHEMBL6986223

COc1ccc(CCS)cc1OC.[Na]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.63
KDM4E B2RXH2 1/20 0.63
CA2 P00918 1/20 0.61
POLB P06746 1/20 0.59
CYP19A1 P11511 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
AOC3 Q16853 1/20 0.56
STAT3 P40763 1/20 0.54
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.52
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
HSP90AA1 P07900 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL6891346 0.98 ATM (0.66) ATMKDM4ECA2POLBCYP19A1
SCHEMBL11225556 0.86 ATM (0.61) ATMKDM4ECA2POLBCYP19A1
SCHEMBL6985208 0.85 CALM1 (0.67) ATMKDM4ECA2POLBCYP19A1
SCHEMBL16641094 0.85 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31157848 0.85 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1
SCHEMBL10335393 0.83 CYP19A1 (0.81) ATMKDM4ECA2POLBCYP19A1
SCHEMBL10343404 0.81 ATM (0.70) ATMKDM4ECA2POLBCYP19A1
SCHEMBL1486320 0.81 CA2 (0.68) ATMKDM4ECA2POLBCYP19A1
SCHEMBL30869991 0.81 ATM (0.70) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31208559 0.81 CA2 (0.68) ATMKDM4ECA2POLBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307193-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY Affymax Research Institute (US) 2003-05-07 EP disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO disclosed