SCHEMBL6548899

SCHEMBL6548899

COc1ccc(CCCCCCCCCCCCCCC(=O)Cc2ccc(-c3cccs3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
LTB4R Q15722 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
DPP4 P27487 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F2RL1 P55085 1/20 0.41

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
SCHEMBL6547083 0.87 PLA2G4A (0.49) SMN1; SMN2NPC1RAB9AMAPK1POLB
SCHEMBL6547146 0.83 DPP4 (0.45) SCN9AHPGDSMN1; SMN2DPP4NPC1
SCHEMBL6548487 0.81 DPP4 (0.49) HPGDSMN1; SMN2DPP4NPC1RAB9A
SCHEMBL6547714 0.78 PLA2G4B (0.45) SMN1; SMN2DPP4NPC1RAB9APOLB
SCHEMBL10596837 0.69 LTB4R (0.62) LTB4RTDP1POLBLMNAALDH1A1
SCHEMBL9235000 0.68 ALOX5 (0.59) LTB4RSMN1; SMN2NPC1RAB9APOLB
SCHEMBL933946 0.68 ALOX5 (0.59) LTB4RPOLBF2RL1
SCHEMBL9663959 0.68 LTB4R (0.69) LTB4RF2RL1
SCHEMBL9484086 0.68 LTB4R (0.69) LTB4RF2RL1
SCHEMBL11637942 0.68 ALOX5 (0.59) LTB4RSMN1; SMN2NPC1RAB9APOLB

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-1204714-B1 BI-OR TERTHIENYL SUBSTITUTED PHOTOCHROMIC NAPHTHO 2,1-B]PYRAN COMPOUNDS ESSILOR INT (FR) 2004-01-28 EP disclosed
EP-1204714-A1 BI-OR TERTHIENYL SUBSTITUTED PHOTOCHROMIC NAPHTHO 2,1-B]PYRAN COMPOUNDS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-05-15 EP disclosed
WO-2001004233-A1 BI-OR TERTHIENYL SUBSTITUTED PHOTOCHROMIC NAPHTHO[2,1-B]PYRAN COMPOUNDS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-01-18 WO disclosed