SCHEMBL9324535

SCHEMBL9324535

CCN(CC)CCCSCC(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
SLC2A1 P11166 1/20 0.41
CHRM2 P08172 3/20 0.41
KCNH2 Q12809 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL9324816 0.92 MAPT (0.54) SIGMAR1MAPTLMNACYP1A2CYP2D6
SCHEMBL14561197 0.83 LMNA (0.52) LMNASMN1; SMN2ALDH1A1KDM4EAOC3
SCHEMBL4490473 0.75 LMNA (0.56) LMNASMN1; SMN2KDM4EAOC3
SCHEMBL24486732 0.73 KCNH2 (0.55) SIGMAR1MAPTCYP1A2CYP2D6CHRM1
SCHEMBL5417971 0.72 AOC3 (0.60) SIGMAR1LMNACYP1A2CYP2D6ALDH1A1
SCHEMBL11420730 0.72 AOC3 (0.60) SIGMAR1MAPTLMNACYP1A2CYP2D6
SCHEMBL12352719 0.71 ALDH1A1 (0.51) SIGMAR1MAPTLMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9737723 0.71 AOC3 (0.58) SIGMAR1LMNACYP1A2CYP2D6SMN1; SMN2
SCHEMBL28641286 0.70 RIPK1 (0.52) LMNAALDH1A1KDM4EAOC3
SCHEMBL9326907 0.70 LMNA (0.55) SIGMAR1MAPTLMNACYP1A2CYP2D6

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