SCHEMBL163754

SCHEMBL163754

COc1ccc(C#CC(O)c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AKR1C3 P42330 1/20 0.49
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.46
NR1I2 O75469 1/20 0.45
AHR P35869 1/20 0.45
KMT2A Q03164 2/20 0.44
IGF1R P08069 1/20 0.44
PRKDC P78527 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1821168 1.00 MAPT (0.49) MAPTL3MBTL1AKR1C3MMP2MMP3
SCHEMBL7053252 0.90 IGF1R (0.45) MAPTL3MBTL1ALDH1A1RAB9AKMT2A
SCHEMBL7734103 0.89 MAPT (0.46) MAPTL3MBTL1ALDH1A1RAB9AKMT2A
SCHEMBL1819239 0.84 MAPT (0.41) MAPTL3MBTL1MMP2MMP3MMP13
SCHEMBL4649497 0.83 KDM4E (0.46) MAPTAKR1C3ALDH1A1KMT2AIGF1R
SCHEMBL8358624 0.83 GRM5 (0.51) MAPTL3MBTL1AKR1C3ALDH1A1RAB9A
SCHEMBL4649145 0.83 LMNA (0.49) MAPTL3MBTL1AKR1C3ALDH1A1RAB9A
SCHEMBL27165415 0.82 HIF1A (0.47) MAPTALDH1A1KMT2APRKDCKDM4E
SCHEMBL1820200 0.82 ACACB (0.38) MAPTMMP2MMP3MMP13ALDH1A1
SCHEMBL9942722 0.82 APP (0.53) L3MBTL1ALDH1A1KCNH2

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
WO-2012030518-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2012-03-08 WO disclosed
EP-1214311-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 EP disclosed
WO-2001019813-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 WO disclosed