SCHEMBL9631099

SCHEMBL9631099

COC(=O)Cc1cc(C(OC)(OC)C(C)Br)ccc1Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
AGBL2 Q5U5Z8 1/20 0.38
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP12 P39900 3/20 0.37
HTT P42858 1/20 0.36
MMP14 P50281 1/20 0.35
DDR1 Q08345 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CYP2C9 P11712 2/20 0.34

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
SCHEMBL10424064 0.91 AGBL2 (0.47) L3MBTL1AGBL2MMP2MMP9MMP12
SCHEMBL9005922 0.80 L3MBTL1 (0.36) L3MBTL1HTTCA2CA4
SCHEMBL9630994 0.80 HTT (0.42) L3MBTL1AGBL2MMP2MMP9MMP12
SCHEMBL7708631 0.78 L3MBTL1 (0.45) L3MBTL1AGBL2MMP2MMP9MMP12
SCHEMBL7037491 0.77 AGBL2 (0.46) L3MBTL1AGBL2MMP2MMP9MMP12
SCHEMBL9630038 0.77 AGBL2 (0.46) L3MBTL1AGBL2MMP2MMP9MMP12
SCHEMBL7030014 0.73 SMN1; SMN2 (0.41) L3MBTL1MMP2MMP9MMP12HTT
SCHEMBL9631094 0.70 PTGDR2 (0.34) CYP2C9CYP2C19HPGDLMNASMN1; SMN2
SCHEMBL9631104 0.70 HPGD (0.38) L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL11577641 0.69 MAPT (0.50) L3MBTL1AGBL2MMP2MMP9MMP12

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-0309626-B1 PROCESS FOR THE PREPARATION OF DIBENZOTHIEPIN DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1992-05-06 EP disclosed
US-4891433-A Process for the preparation of dibenzothiepin derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1990-01-02 US disclosed
EP-0309626-A1 Process for the preparation of dibenzothiepin derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1989-04-05 EP disclosed