SCHEMBL9324816

SCHEMBL9324816

CCN(CC)CCSCC(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
SIGMAR1 Q99720 2/20 0.47
LMNA P02545 2/20 0.47
CHRM1 P11229 4/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 3/20 0.42
CHRM4 P08173 2/20 0.42
CHRM3 P20309 2/20 0.42
AOC3 Q16853 2/20 0.41
KDM4E B2RXH2 3/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL9324535 0.92 SIGMAR1 (0.50) MAPTSIGMAR1LMNACHRM1CYP1A2
SCHEMBL14561197 0.78 LMNA (0.52) LMNAALDH1A1SMN1; SMN2AOC3KDM4E
SCHEMBL4490473 0.76 LMNA (0.56) LMNASMN1; SMN2AOC3KDM4ERAB9A
SCHEMBL5417971 0.73 AOC3 (0.60) SIGMAR1LMNACYP1A2CYP2D6ALDH1A1
SCHEMBL11420730 0.73 AOC3 (0.60) MAPTSIGMAR1LMNACYP1A2CYP2D6
SCHEMBL20079573 0.73 MAPT (0.35) MAPTCHRM1CHRM2CHRM4CHRM3
Hydrochloric Acid SCHEMBL9737723 0.72 AOC3 (0.58) SIGMAR1LMNACYP1A2CYP2D6ALDH1A1
SCHEMBL9326907 0.71 LMNA (0.55) MAPTSIGMAR1LMNACHRM1CYP1A2
SCHEMBL9324799 0.71 MAPT (0.54) MAPTSIGMAR1LMNACHRM1CYP1A2
SCHEMBL6693362 0.70 LMNA (0.60) LMNACYP1A2CYP2D6AOC3KDM4E

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-5308735-A Aromatic-aldehyde resins, improved solubility NIPPON PAINT CO., LTD. (JP) 1994-05-03 US disclosed
EP-0540016-A1 Photosensitive resin and resin composition for lithographic printing Nippon Paint Co., Ltd. (JP) 1993-05-05 EP disclosed