SCHEMBL7688230

SCHEMBL7688230

COc1cccc2[nH]c(C(=O)OCc3ccccc3)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SRD5A2 P31213 2/20 0.62
FLT3 P36888 2/20 0.58
IDO1 P14902 1/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RCE1 Q9Y256 1/20 0.55
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
MMP12 P39900 3/20 0.51
MMP1 P03956 2/20 0.51
HRH4 Q9H3N8 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 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
SCHEMBL7684412 0.85 MEN1 (0.51) POLBNPC1RAB9ASRD5A2IDO1
SCHEMBL699482 0.84 FLT3 (0.60) POLBNPC1RAB9AFLT3IDO1
SCHEMBL700753 0.83 SRD5A2 (0.73) POLBNPC1RAB9ASRD5A2MEN1
SCHEMBL6704768 0.83 KMT2A (0.49) POLBNPC1RAB9ASRD5A2IDO1
SCHEMBL6595625 0.82 SRD5A2 (0.77) POLBNPC1RAB9ASRD5A2FLT3
SCHEMBL217459 0.81 FLT3 (0.66) POLBNPC1RAB9AFLT3IDO1
SCHEMBL913914 0.80 FLT3 (0.68) POLBNPC1RAB9ASRD5A2FLT3
SCHEMBL29414307 0.80 FLT3 (0.68) POLBNPC1RAB9ASRD5A2FLT3
SCHEMBL16632523 0.79 SRD5A2 (0.67) POLBNPC1RAB9ASRD5A2FLT3
SCHEMBL30741601 0.77 IDO1 (0.61) NPC1RAB9ASRD5A2FLT3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed