SCHEMBL8716050

SCHEMBL8716050

Cc1ccc(COc2ccc(C(=O)c3cc4ccccc4n3S(=O)(=O)c3ccccc3)cc2OCCCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 5/20 0.49
NOD1 Q9Y239 5/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
BCL2 P10415 1/20 0.45
BID P55957 1/20 0.45
MCL1 Q07820 1/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
ALOX5 P09917 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
SCHEMBL8715760 0.84 ALDH1A1 (0.52) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL7065121 0.84 HDAC1 (0.52) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL7860372 0.82 PLK1 (0.45) LMNAALOX5
SCHEMBL7066115 0.81 BCL2 (0.56) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL8717853 0.80 HTR6 (0.46) NOD2NOD1BCL2BIDMCL1
SCHEMBL7066595 0.80 ALDH1A1 (0.49) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL7067783 0.77 HDAC3 (0.57) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL7063702 0.75 HDAC3 (0.55) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL7061634 0.74 CCR2 (0.55) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL7067526 0.73 BCL2 (0.56) NOD2NOD1ALDH1A1LMNAMAPT

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-5760040-A THERAPEUTIC AGENT FOR PROSTATIC HYPERTROPHY, URINATION DISORDER, ALOPECIA AND ACNE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed