SCHEMBL9768897

SCHEMBL9768897

C[C](C)Cc1cc(C)c(C)o1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
APEX1 P27695 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
ALPG P10696 1/20 0.33
TTR P02766 1/20 0.32
ALPL P05186 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL7958414 0.78 PTGER4 (0.47) TAS1R3TAS1R1APEX1SMN1; SMN2NPC1
SCHEMBL4301123 0.76
SCHEMBL20419311 0.76
SCHEMBL3922006 0.74 TLR8 (0.37) TAS1R3TAS1R1APEX1SMN1; SMN2MAPT
SCHEMBL7960299 0.74 APEX1 (0.36) TAS1R3TAS1R1APEX1SMN1; SMN2MAPT
SCHEMBL183395 0.73
SCHEMBL7960304 0.72 APEX1 (0.38) TAS1R3TAS1R1APEX1SMN1; SMN2NPC1
SCHEMBL14034872 0.71
SCHEMBL15151077 0.71
SCHEMBL3906982 0.71

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 3 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
CN-1031536-A 2 '-'-Deoxy-5-fluorouridine derivatives and its production and application OTSUKA PHARMA CO LTD (JP) 1989-03-08 CN 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