SCHEMBL9769033

SCHEMBL9769033

CCCCc1occc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTRC Q99895 1/20 0.32

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
SCHEMBL3919456 0.94 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTTHRBSMN1; SMN2
SCHEMBL12428880 0.86
SCHEMBL9769026 0.77 CA2 (0.32) THRBSMN1; SMN2CA2CTRCCA1
SCHEMBL5162966 0.77 CA2 (0.32) SMN1; SMN2CA2CTRCCA1PTPN1
SCHEMBL257113 0.77
SCHEMBL31265933 0.76 KDM4E (0.37) ALDH1A1KDM4EMAPTSMN1; SMN2CA2
SCHEMBL7038726 0.76
SCHEMBL3933030 0.72 CTRC (0.38) SKP2ALDH1A1MAPTCA2HTT
SCHEMBL27823063 0.72 LIPG (0.40) ALDH1A1KDM4EMAPTCA2LMNA
SCHEMBL10583121 0.72 TDP1 (0.34) ALDH1A1KDM4EMAPTTHRBPPARG

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-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 US disclosed
EP-0303269-A2 2'-Deoxy-5-fluorouridine derivatives, process for preparing the same and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-02-15 EP disclosed