SCHEMBL9769169

SCHEMBL9769169

CCc1ccc(C[C](C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 4/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMYD3 Q9H7B4 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL45854 0.82
SCHEMBL9880895 0.77 HPGD (0.50) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL6844117 0.76 PRMT6 (0.50) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL4096475 0.76 ALDH1A1 (0.43) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2969315 0.75
SCHEMBL10175255 0.75 ALDH1A1 (0.36) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL27288252 0.74 ALDH1A1 (0.44) ALDH1A1HPGDRAB9ASMN1; SMN2TSHR
SCHEMBL9880894 0.73 ACACA (0.44) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL21547852 0.73 HPGD (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL2037052 0.71 HPGD (0.38) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1

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