SCHEMBL7989945

SCHEMBL7989945

COCCCCOc1ccc(C=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 3/20 0.64
HPGD P15428 2/20 0.64
CYP2A6 P11509 1/20 0.55
KDM4E B2RXH2 2/20 0.47
ALDH1A3 P47895 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AHR P35869 1/20 0.44

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
SCHEMBL27256901 0.98 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL3720061 0.96 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL246323 0.90 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8551794 0.90 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8549614 0.88 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8373505 0.88 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8315263 0.88 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL3113016 0.88 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8374769 0.88 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL3696420 0.88 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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-2727947-B1 COPOLYMER, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING HARDENED PRODUCT THEREOF DAINIPPON INK & CHEMICALS (JP) 2017-03-15 EP disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed