SCHEMBL19908451

SCHEMBL19908451

CCCCCCCOc1cc(C)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.47
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
NR5A1 Q13285 1/20 0.44
TSHR P16473 2/20 0.44
BLM P54132 1/20 0.42
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
LTA4H P09960 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PLA2G4B P0C869 1/20 0.39
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 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
SCHEMBL8283580 0.93 DRD2 (0.41) PLA2G2ATP53ALOX15NR5A1TSHR
SCHEMBL8646110 0.89 PLA2G2A (0.53) PLA2G2ATP53ALOX15NR5A1TSHR
SCHEMBL14261932 0.89 PLA2G2A (0.53) PLA2G2ATP53ALOX15NR5A1TSHR
SCHEMBL17284927 0.89 PLA2G2A (0.53) PLA2G2ATP53ALOX15NR5A1TSHR
SCHEMBL19121172 0.87 ELANE (0.43) TP53ALOX15LTA4HALDH1A1HTT
SCHEMBL1070543 0.87 TP53 (0.56) PLA2G2ATP53ALOX15NR5A1TSHR
SCHEMBL12550198 0.87 PLA2G2A (0.59) PLA2G2ATP53ALOX15NR5A1TSHR
SCHEMBL17835021 0.87 PLA2G2A (0.59) PLA2G2ATP53ALOX15NR5A1TSHR
SCHEMBL21388518 0.85 PLA2G2A (0.56) PLA2G2ATP53ALOX15NR5A1TSHR
SCHEMBL6462571 0.85 TP53 (0.53) PLA2G2ATP53ALOX15NR5A1TSHR

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-2941474-B1 HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR WAVELENGTH CONVERSION NITTO DENKO CORP (JP) 2018-02-28 EP disclosed