SCHEMBL26013294

SCHEMBL26013294

C#CCOc1ccccc1-c1ccccc1OCC#C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.64
MAPT P10636 1/20 0.51
MAOA P21397 3/20 0.51
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.45
GSTP1 P09211 1/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
HTR1A P08908 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR7 P34969 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL10347560 0.88 MAPT (0.56) MAOBMAPTMAOACYP3A4CYP2A6
SCHEMBL30663731 0.88 MAPT (0.56) MAOBMAPTMAOACYP3A4CYP2A6
SCHEMBL6948986 0.88 MAOB (0.67) MAOBMAPTMAOAMAPK1HTR7
Hydrochloric Acid SCHEMBL21694039 0.86 MAPT (0.55) MAOBMAPTMAOACYP3A4CYP2A6
SCHEMBL7734269 0.85 MAOB (0.63) MAOBMAPTMAOAGSTP1MAPK1
SCHEMBL5981851 0.80 MAPT (0.50) MAOBMAPTCYP3A4CYP2A6
SCHEMBL121230 0.78 MAPT (0.49) MAOBMAPTMAOACYP3A4CYP2A6
SCHEMBL1477239 0.78 MAOB (0.56) MAOBMAPTMAOACYP3A4CYP2A6
SCHEMBL5669332 0.78 MAPT (0.57) MAOBMAPTCYP3A4CYP2A6NPC1
SCHEMBL29679041 0.78 CA12 (0.54) MAOBMAPTMAOACYP1A2POLB

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-20230259031-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-08-17 US disclosed
US-20230259031-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-08-17 US disclosed