SCHEMBL8795149

SCHEMBL8795149

CC1(C)C=C(c2cnc3ccccc3c2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.36
NR2F2 P24468 1/20 0.35
ALPL P05186 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
POLB P06746 1/20 0.33
AKR1C3 P42330 2/20 0.33

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
SCHEMBL8795772 0.82 PTGS2 (0.38) PTGS1PTGS2KDM4EALDH1A1LMNA
SCHEMBL8794513 0.82 PTGS2 (0.40) PTGS1PTGS2ALDH1A1LMNAHTT
SCHEMBL8795212 0.81 PTGS2 (0.37) PTGS2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8794918 0.80 ESPL1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2RARA
SCHEMBL8793951 0.80 PTGS2 (0.39) CA12CA1CA2CA9PTGS1
SCHEMBL8794882 0.79 CYP17A1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL8794831 0.79 ESPL1 (0.37) PTGS2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8795248 0.79 PTGS2 (0.35) CA12CA9PTGS1PTGS2KDM4E
SCHEMBL9376910 0.77 ESPL1 (0.37) PTGS2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8795494 0.76 PTGS2 (0.35) PTGS1PTGS2ALDH1A1LMNAHTT

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-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP disclosed
EP-0586405-A1 NOVEL 2H-BENZO b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS. BEIERSDORF LILLY GMBH (DE) 1994-03-16 EP disclosed
WO-1992020671-A1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed