SCHEMBL13044358

SCHEMBL13044358

CC(=O)O/N=C/c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLA2G7 Q13093 1/20 0.39
PLK1 P53350 1/20 0.37
MGAM O43451 1/20 0.36

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
SCHEMBL28401229 1.00 ALDH1A1 (0.50) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL13402945 0.86 ALDH1A1 (0.48) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL28360400 0.81 ALDH1A1 (0.47) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL8397468 0.81 ALDH1A1 (0.61) ALDH1A1HPGDLMNASMN1; SMN2MEN1
SCHEMBL215465 0.79 GRIN2D (0.55) ALDH1A1HPGDLMNASMN1; SMN2MEN1
SCHEMBL215464 0.79 GRIN2D (0.55) ALDH1A1HPGDLMNASMN1; SMN2MEN1
SCHEMBL10889083 0.79 ALDH1A1 (0.44) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL13044364 0.78 GRIN2D (0.51) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL13078705 0.78 ALDH1A1 (0.40) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL17257136 0.77 CA12 (0.51) ALDH1A1HPGDLMNAL3MBTL1SMN1; SMN2

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
US-7829257-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORP. (US) 2010-11-09 US disclosed
US-7829257-B2 Photosensitive resin composition CIBA SPECIALTY CHEMICALS CORP. (US) 2010-11-09 US disclosed