SCHEMBL8633249

SCHEMBL8633249

Cc1cc(C)cc(C2=Cc3ccccc3C2)c1.FC(F)(F)c1cc(C2=Cc3ccccc3C2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PTGS2 P35354 2/20 0.38
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NOTUM Q6P988 1/20 0.32
IKBKB O14920 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
PTPN5 P54829 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
TACR1 P25103 1/20 0.31
NFE2L2 Q16236 1/20 0.31
DRD2 P14416 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
SCHEMBL6290470 0.91 CYP11B1 (0.47) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL29897853 0.87 CYP11B1 (0.51) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL6280771 0.87 CYP11B1 (0.51) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL6280690 0.79 CYP11B1 (0.47) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL29897870 0.79 CYP11B1 (0.47) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL6285696 0.77 CYP11B1 (0.49) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL30666830 0.74 CYP11B1 (0.53) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL6287169 0.73 CYP11B1 (0.54) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL30487694 0.73 CYP11B1 (0.54) CYP11B1CYP11B2PTGS2IP6K1IP6K3
SCHEMBL4269308 0.69 PTGS2 (0.46) CYP11B1CYP11B2PTGS2IP6K1IP6K3

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-0802935-A4 THERMOPLASTIC ELASTOMERIC STEREOBLOCK OLEFIN POLYMERS METHODS AND METALLOCENE CATALYSTS UNIV LELAND STANFORD JUNIOR (US) 1998-09-30 EP claimed
EP-0802935-A1 THERMOPLASTIC ELASTOMERIC STEREOBLOCK OLEFIN POLYMERS METHODS AND METALLOCENE CATALYSTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1997-10-29 EP claimed
WO-1995025757-A1 THERMOPLASTIC ELASTOMERIC STEREOBLOCK OLEFIN POLYMERS METHODS AND METALLOCENE CATALYSTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1995-09-28 WO claimed