SCHEMBL8665698

SCHEMBL8665698

Cc1ccc(C(=O)N(C(C)O)C(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
ALDH1A1 P00352 5/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NLRP1 Q9C000 1/20 0.43
GAA P10253 1/20 0.43
NTSR1 P30989 1/20 0.43
ALOX5 P09917 1/20 0.43
SRD5A2 P31213 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL12988880 0.85 NPSR1 (0.66) HPGDNPSR1MCOLN3ALDH1A1CES2
SCHEMBL154606 0.81 TRPM8 (0.53) HPGDNPSR1ALDH1A1CES2CES1
SCHEMBL8079678 0.80 NPSR1 (0.60) HPGDNPSR1MCOLN3ALDH1A1CES2
SCHEMBL11780823 0.79 NPSR1 (0.46) HPGDNPSR1MCOLN3ALDH1A1CES2
SCHEMBL7563094 0.78 KDM4E (0.49) HPGDALDH1A1LMNAHTTMEN1
SCHEMBL21541337 0.77 ALDH1A1 (0.50) HPGDNPSR1MCOLN3ALDH1A1CES2
SCHEMBL8467615 0.76 ALDH1A1 (0.54) HPGDNPSR1ALDH1A1CES2CES1
SCHEMBL12302001 0.75 ALDH1A1 (0.48) HPGDNPSR1MCOLN3ALDH1A1CES2
SCHEMBL4711272 0.75 ALDH1A1 (0.59) HPGDNPSR1ALDH1A1CES2CES1
SCHEMBL30491049 0.75 MLYCD (0.50) HPGDNPSR1ALDH1A1CES2CES1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627452-B1 UV-absorbing polyurethanes and polyesters CIBA GEIGY AG (CH) 1998-12-09 EP disclosed
US-5459222-A UV-absorbing polyurethanes and polyesters CIBA-GEIGY CORPORATION 1995-10-17 US disclosed
EP-0627452-A1 UV-absorbing polyurethanes and polyesters CIBA-GEIGY AG (CH) 1994-12-07 EP disclosed