SCHEMBL7317828

SCHEMBL7317828

CCCCC#Cc1cc(C)c(NS(=O)(=O)c2ccc(OC)cc2Cc2ccccc2)c(C(=O)OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.36
HSP90AA1 P07900 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
PLA2G2A P14555 2/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 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
SCHEMBL7314649 0.94 MEN1 (0.38) CTSLCTSBMTNR1AMTNR1BALDH1A1
SCHEMBL7315541 0.86 MTNR1A (0.40) MTNR1AMTNR1BHSP90AA1ALDH1A1TSHR
SCHEMBL7317403 0.83 METAP2 (0.48) MTNR1AMTNR1BHSP90AA1ALDH1A1TSHR
SCHEMBL7318301 0.82 MTNR1A (0.43) MTNR1AMTNR1BHSP90AA1ALDH1A1TSHR
SCHEMBL7313794 0.81 MTNR1A (0.42) MTNR1AMTNR1BHSP90AA1ALDH1A1MAPT
SCHEMBL7316525 0.81 ALDH1A1 (0.42) MTNR1AMTNR1BHSP90AA1ALDH1A1TSHR
SCHEMBL7321197 0.80 MTNR1A (0.41) MTNR1AMTNR1BHSP90AA1ALDH1A1MAPT
SCHEMBL7322288 0.80 MMP1 (0.50) MTNR1AMTNR1BHSP90AA1ALDH1A1TSHR
SCHEMBL7317673 0.80 METAP2 (0.43) MTNR1AMTNR1BALDH1A1TSHRGAA
SCHEMBL7354897 0.79 FFAR4 (0.41) MTNR1AMTNR1BHSP90AA1ALDH1A1TSHR

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