SCHEMBL10375205

SCHEMBL10375205

CCCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4ncc(CCCCCCCC)cn4)cc3)C3COC(C)(C)O3)C3COC(C)(C)O3)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.45
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 4/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL9528039 1.00 RARB (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9524937 0.93 MEN1 (0.45) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9524685 0.88 RAB9A (0.39) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9523947 0.85
SCHEMBL9528232 0.80 RARB (0.47) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9528031 0.78 RARB (0.46) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9528028 0.78 RARB (0.46) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10354911 0.75 RARB (0.48) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10355038 0.75 RARB (0.48) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL10354812 0.75 RARB (0.48) RARBRAB9ASMN1; SMN2MAPTKDM4E

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-2088573-A None JP disclosed
JP-H0288573-A 1,3-DIOXOLANE DERIVATIVE HAVING LIQUID CRYSTAL RESIDUE AT 4-POSITION, PRODUCTION THEREOF AND USE THEREOF AS DOPANT IN LIQUID CRYSTAL COMPOSITION HOECHST AG 1990-03-28 JP disclosed