SCHEMBL11043780

SCHEMBL11043780

CCCCCCCCCCCCOC[CH]COCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 2/20 0.46
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 2/20 0.42
CES1 P23141 1/20 0.42
LSS P48449 1/20 0.41
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL2839085 1.00 THRB (0.50) THRBHTTMEN1KMT2AMAPT
SCHEMBL2842977 1.00 THRB (0.50) THRBHTTMEN1KMT2AMAPT
SCHEMBL2835917 1.00 THRB (0.50) THRBHTTMEN1KMT2AMAPT
SCHEMBL11043138 1.00 THRB (0.50) THRBHTTMEN1KMT2AMAPT
SCHEMBL20500857 1.00 THRB (0.50) THRBHTTMEN1KMT2AMAPT
SCHEMBL10337467 0.95 HTT (0.46) THRBHTTMEN1KMT2AMAPT
SCHEMBL7517144 0.90 CES2 (0.48) THRBHTTMEN1KMT2AMAPT
SCHEMBL8703366 0.90 CES2 (0.48) THRBHTTMEN1KMT2AMAPT
SCHEMBL7507293 0.90 CES2 (0.48) THRBHTTMEN1KMT2AMAPT
SCHEMBL615634 0.89 TSHR (0.48) THRBHTTMEN1KMT2AMAPT

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-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 US disclosed