SCHEMBL9630106

SCHEMBL9630106

CC(=O)Cc1ccc(OCc2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.58
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MMP13 P45452 2/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GPR132 Q9UNW8 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 2/20 0.49
ADAMTS4 O75173 1/20 0.49
RECQL P46063 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL14676052 0.87 NAPRT (0.66) ACACBCYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL15753209 0.86 RAB9A (0.66) ACACBCYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL5830825 0.86 ACACB (0.53) ACACBCYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL6955979 0.84 MAOB (0.68) ACACBCYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL28048524 0.83 MAPK1 (0.64) ACACBCYP19A1CYP11B1CYP11B2MAPK1
SCHEMBL9632286 0.82 MAOB (0.53) SMN1; SMN2HTTRAB9AALOX5
SCHEMBL9630186 0.82 MAOB (0.53) SMN1; SMN2HTTRAB9AALOX5
SCHEMBL68570 0.82 ALOX5 (0.69) SMN1; SMN2HTTRAB9ANPC1LMNA
SCHEMBL29611658 0.81 NAPRT (0.69) CYP19A1KMT2ARECQLCYP1A2CYP3A4
SCHEMBL48669 0.81 NAPRT (0.69) CYP19A1KMT2ARECQLCYP1A2CYP3A4

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
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed