SCHEMBL10420161

SCHEMBL10420161

CCOC(=O)C(CCCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MMP9 P14780 5/20 0.44
MMP2 P08253 1/20 0.44
LMNA P02545 2/20 0.44
ABCB11 O95342 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
APOBEC3A P31941 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL10420218 0.99 MEN1 (0.52) MEN1KMT2AMAPTTP53CRHBP
SCHEMBL10419451 0.88 MMP2 (0.55) MEN1KMT2AMAPTTP53L3MBTL1
SCHEMBL10419485 0.87 MMP9 (0.54) MEN1KMT2AMAPTTP53L3MBTL1
SCHEMBL10502883 0.85 ALDH1A1 (0.47) MEN1KMT2AMAPTMMP9MMP2
SCHEMBL10420389 0.84 LMNA (0.47) MEN1KMT2AMAPTMMP9MMP2
SCHEMBL10419455 0.84 LMNA (0.47) MEN1KMT2AMAPTMMP9MMP2
SCHEMBL10419276 0.84 ALDH1A1 (0.48) MEN1KMT2AMAPTMMP9MMP2
SCHEMBL9614247 0.82 MMP9 (0.46) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL6932071 0.82 TDP1 (0.53) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL9614130 0.81 MMP9 (0.48) MEN1KMT2AMAPTL3MBTL1MMP9

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-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
EP-0226636-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1989-02-08 EP disclosed