SCHEMBL4652887

SCHEMBL4652887

CCCCCCCCOc1sc(C(=O)O)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
PLA2G4B P0C869 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PTPN11 Q06124 2/20 0.45
RARB P10826 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PLA2G2A P14555 1/20 0.44

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
SCHEMBL4651707 1.00 TSHR (0.48) TSHRTP53PLA2G4BLMNAALDH1A1
SCHEMBL4651612 1.00 TSHR (0.48) TSHRTP53PLA2G4BLMNAALDH1A1
SCHEMBL4651631 0.87 LMNA (0.46) TSHRTP53LMNAALDH1A1MEN1
SCHEMBL10430095 0.84 FAAH (0.49) TSHRTP53LMNAALDH1A1MEN1
SCHEMBL4651959 0.83 PLK1 (0.61) LMNAALDH1A1PTPN11MEN1KMT2A
SCHEMBL4650949 0.83 PLK1 (0.61) LMNAALDH1A1PTPN11MEN1KMT2A
SCHEMBL4651952 0.83 PLK1 (0.61) LMNAALDH1A1PTPN11MEN1KMT2A
SCHEMBL4652909 0.80 ALDH1A1 (0.51) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL4651616 0.79 CXCR2 (0.51) TSHRTP53PLA2G4BLMNAALDH1A1
SCHEMBL4651710 0.79 CXCR2 (0.51) TSHRTP53PLA2G4BLMNAALDH1A1

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
EP-1972624-A1 Benzoxazinones and their use as ultraviolet light absorbers Clariant International Ltd. (CH) 2008-09-24 EP disclosed