SCHEMBL7329544

SCHEMBL7329544

CCc1cc(OC)ccc1OC(CC)(C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSPO P30536 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HIF1A Q16665 1/20 0.40
ADRA1A P35348 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL805159 0.75 HSD17B10 (0.65) HSD17B10ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL6180298 0.73 KMT2A (0.41) ALDH1A1MEN1KMT2AHIF1A
SCHEMBL7324343 0.72 CA12 (0.42) HSD17B10ALDH1A1HIF1ATAAR1POLB
SCHEMBL6724746 0.71 HSD17B10 (0.56) HSD17B10MEN1KMT2AMTNR1AMTNR1B
SCHEMBL6724742 0.71 HSD17B10 (0.56) HSD17B10MEN1KMT2AMTNR1AMTNR1B
SCHEMBL8468532 0.71 SLC6A4 (0.54) HSD17B10ADRA1ATAAR1IDO1
SCHEMBL11160909 0.70 HSD17B10 (0.55) HSD17B10MEN1KMT2AMTNR1AMTNR1B
SCHEMBL687106 0.69 KDM4E (0.53) HSD17B10ALDH1A1POLB
SCHEMBL7323219 0.69 GABRA1 (0.39) HSD17B10ALDH1A1KMT2A
SCHEMBL1805352 0.69 PPARG (0.43) ALDH1A1MEN1KMT2A

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
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed