SCHEMBL6547870

SCHEMBL6547870

C#CC(O)(c1ccc(OCCCCC)cc1)c1ccc(-c2cccs2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
NR5A1 Q13285 1/20 0.37
LTA4H P09960 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DPP4 P27487 1/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL3158068 0.84 MAPT (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL25877173 0.78 NR5A1 (0.56) NPC1RAB9AMAPTTP53GAA
SCHEMBL10262594 0.77 LTA4H (0.47) ALDH1A1SMN1; SMN2RAB9ATP53GAA
SCHEMBL3172538 0.75 ICMT (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9933229 0.74 LTA4H (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL28365758 0.74 LTA4H (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6547572 0.73 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7869779 0.72 NPC1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL28370253 0.72 AHR (0.43) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL1818269 0.72 AHR (0.43) ALDH1A1SMN1; SMN2MAPTHPGDLMNA

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 2 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
US-6312811-B1 Photochromic naphtho [2,1-b]pyran compounds containing bithienyl or terthienyl substituents, process for their manufacture, and photochromic materials and articles obtained ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-11-06 US disclosed