SCHEMBL7325546

SCHEMBL7325546

Cc1cc(C)c(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2Cc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.56
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
AR P10275 2/20 0.44
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
MCHR1 Q99705 1/20 0.42
DHODH Q02127 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL7316128 0.90 MEN1 (0.48) METAP2MMP9MMP13ADAM17MEN1
SCHEMBL7324937 0.90 METAP2 (0.54) METAP2MMP9MMP13ADAM17ALDH1A1
SCHEMBL7322650 0.90 METAP2 (0.58) METAP2MMP13MEN1KMT2AALDH1A1
SCHEMBL7316879 0.84 METAP2 (0.57) METAP2MEN1KMT2APKMALDH1A1
SCHEMBL7317403 0.83 METAP2 (0.48) METAP2MMP13MEN1KMT2APKM
SCHEMBL7322578 0.82 MMP13 (0.45) METAP2MMP9MMP13ADAM17ALDH1A1
SCHEMBL7325564 0.81 METAP2 (0.49) METAP2MMP9MMP13ADAM17MEN1
SCHEMBL7318667 0.80 METAP2 (0.45) METAP2MMP9MMP13ADAM17MEN1
SCHEMBL7313454 0.80 ACLY (0.51) METAP2MEN1KMT2AALDH1A1HPGD
SCHEMBL7315641 0.79 METAP2 (0.54) METAP2MMP9MMP13ADAM17MEN1

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed