SCHEMBL9799593

SCHEMBL9799593

CC#CCOc1ccc(C#Cc2ccc(OCCCCCCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
ADAM17 P78536 5/20 0.47
MMP9 P14780 4/20 0.47
MMP13 P45452 4/20 0.47
MMP1 P03956 2/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
LTA4H P09960 3/20 0.46
PLA2G4B P0C869 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 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
SCHEMBL9799789 0.88 NR5A1 (0.51) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9333453 0.87 NR5A1 (0.58) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9333111 0.87 NR5A1 (0.58) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9335225 0.87 NR5A1 (0.58) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL10300046 0.87 NR5A1 (0.66) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL15559300 0.87 NR5A1 (0.66) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL12267116 0.85 NR5A1 (0.59) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9335867 0.85 NR5A1 (0.55) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9335357 0.82 NR5A1 (0.56) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9333448 0.82 NR5A1 (0.56) NR5A1TP53TSHRLTA4HPLA2G4B

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-5047169-A ELEVATES REFRACTIVE INDEX ANISOTROPY OF LIFQUID CRYSTAL COMPOUNDS; HIGH SPEED RESPONSE ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-09-10 US disclosed