SCHEMBL16703151

SCHEMBL16703151

O=C(O)c1ccc(CCCc2ccc(OCCc3ccc(F)cc3)cc2)o1.O=C(O)c1ccc(CCCc2ccc(OCCc3ccc(F)cc3)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
FFAR1 O14842 3/20 0.46
NR4A2 P43354 1/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HSP90AA1 P07900 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL1051817 1.00 POLB (0.50) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL22610059 0.90 NR4A2 (0.47) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL16703153 0.88 LMNA (0.44) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4726535 0.88 FFAR1 (0.46) POLBNPC1RAB9ATDP1L3MBTL1
SCHEMBL17451407 0.85 FFAR1 (0.42) SMN1; SMN2L3MBTL1KDM4EFFAR1NR4A2
SCHEMBL3229701 0.80 POLB (0.75) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4779408 0.80 FFAR1 (0.48) POLBNPC1RAB9ATDP1L3MBTL1
SCHEMBL27555763 0.80 TDP1 (0.56) POLBNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4725923 0.78 NR4A2 (0.57) NPC1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL14967365 0.77 NR4A2 (0.73) POLBNPC1RAB9ASMN1; SMN2L3MBTL1

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
WO-2015068142-A2 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS, USES AND METHOD OF MANAGEMENT OF MYELOPROLIFERATIVE DISORDER CELLWORKS GROUP, INC. (US) 2015-05-14 WO disclosed