SCHEMBL9016358

SCHEMBL9016358

[CH2]COCCSc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL16586149 0.86 ALDH1A1 (0.70) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL16893596 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL14652837 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL11253716 0.77 ALDH1A1 (0.64) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL29887576 0.77 ALDH1A1 (0.56) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL18826755 0.77 ALDH1A1 (0.56) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL73350 0.77 ALDH1A1 (0.70) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
SCHEMBL776647 0.75 ALDH1A1 (1.00) ALDH1A1MAPK1KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8101543 0.75 ALDH1A1 (0.54) ALDH1A1MAPK1KDM4ETP53TDP1
SCHEMBL2733001 0.75 ALDH1A1 (0.54) ALDH1A1MAPK1KDM4ETP53TDP1

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
JP-8113614-A None JP disclosed
JP-H08113614-A ACTINIC-RADIATION-CURABLE COMPOSITION AND LENS SHEET MITSUBISHI RAYON CO LTD 1996-05-07 JP disclosed