SCHEMBL14629673

SCHEMBL14629673

COC(=O)c1cc2c(F)cccc2c2c1C=CC(c1ccccc1)(c1ccc(N3CCCCC3)cc1)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
MAPT P10636 7/20 0.38
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
MCL1 Q07820 1/20 0.36
CNR1 P21554 1/20 0.36
DGAT1 O75907 1/20 0.35
KDM4E B2RXH2 1/20 0.35
AHR P35869 1/20 0.34
GFER P55789 1/20 0.34
DHODH Q02127 1/20 0.34
HTR6 P50406 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7777302 0.89 DHODH (0.37) HIF1AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL7784037 0.86 MAPT (0.38) HIF1AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL5550206 0.84 MEN1 (0.35) MAPTNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL7785460 0.84 MAPT (0.39) HIF1AMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL5549293 0.83 MAPT (0.39) MAPTNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL7784131 0.83 MAPT (0.39) MAPTNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL891063 0.82 LRP6 (0.33) MAPTNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL12610521 0.81 MAPT (0.34) HIF1AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL15693690 0.81 DHODH (0.35) HIF1AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL7473791 0.81 NPC1 (0.33) MAPTNPC1SMN1; SMN2ALDH1A1RAB9A

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-0975619-B1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b] PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LTD (GB) 2007-01-03 EP disclosed