SCHEMBL9427015

SCHEMBL9427015

CCCCCCCCCCCOc1cnc(-c2ccc(OCCCCCCCC)cc2F)nc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.45
PDK2 Q15119 2/20 0.44
NR5A1 Q13285 1/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G4B P0C869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL9170582 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53
SCHEMBL9427094 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53
SCHEMBL9427096 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53
SCHEMBL9167557 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53
SCHEMBL9426763 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53
SCHEMBL9426374 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53
SCHEMBL9427282 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53
SCHEMBL9426854 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53
SCHEMBL9426142 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53
SCHEMBL9427315 1.00 PTPN11 (0.45) PTPN11PDK2NR5A1TSHRTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5340497-A Ferroelectric liquid crystal MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-08-23 US claimed