SCHEMBL29236372

SCHEMBL29236372

Oc1ccc(O)c(N2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
HTT P42858 2/20 0.41
HTR5A P47898 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
HSP90AA1 P07900 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP2C9 P11712 1/20 0.37
MIF P14174 1/20 0.37
TYR P14679 1/20 0.37
ALOX15 P16050 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL17659681 1.00 GAA (0.41) GAAHTTHTR5ANR1H4HSP90AA1
SCHEMBL17659703 0.91 MEN1 (0.40) GAAHTTHTR5AHSP90AA1ALDH1A1
SCHEMBL17659123 0.90 DRD2 (0.51) GAAHTTHSP90AA1DRD2DRD1
SCHEMBL17659019 0.89 KMT2A (0.42) GAAHTTALDH1A1LMNANR1I2
SCHEMBL3926124 0.89 KMT2A (0.42) GAAHTTALDH1A1LMNANR1I2
SCHEMBL17659670 0.87 LMNA (0.47) GAADRD2DRD4DRD3ALDH1A1
SCHEMBL10706814 0.86 MAPT (0.47) GAAHSP90AA1ALDH1A1LMNAALOX15
SCHEMBL11759243 0.86 HTR5A (0.57) HTR5AHSP90AA1DRD2DRD1DRD4
SCHEMBL17659672 0.85 KDM4E (0.59) GAADRD2DRD1DRD4HTR2A
SCHEMBL17658999 0.84 GAA (0.68) GAAHTTALDH1A1LMNAMAOB

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
CN-117986992-A Polymer transparent waterproof coating for outer wall and preparation method thereof 北京宇阳泽丽防水材料有限责任公司 2024-05-07 CN claimed
CN-117986992-A Polymer transparent waterproof coating for outer wall and preparation method thereof 北京宇阳泽丽防水材料有限责任公司 2024-05-07 CN disclosed