SCHEMBL16703153

SCHEMBL16703153

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
FFAR1 O14842 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HSP90AA1 P07900 1/20 0.41
POLB P06746 2/20 0.41
FAAH O00519 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 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
SCHEMBL1051817 0.88 POLB (0.50) LMNATSHRFFAR1NPC1RAB9A
SCHEMBL16703151 0.88 POLB (0.50) LMNATSHRFFAR1NPC1RAB9A
SCHEMBL17451407 0.81 FFAR1 (0.42) LMNATSHRFFAR1CYP1A2CYP2D6
SCHEMBL22610059 0.79 NR4A2 (0.47) FFAR1NPC1RAB9APOLBFAAH
SCHEMBL4726535 0.77 FFAR1 (0.46) FFAR1NPC1RAB9AHSP90AA1POLB
SCHEMBL15079869 0.73 MAOB (0.58) FFAR1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL3961295 0.70 FFAR1 (0.59) LMNAFFAR1PPARGPPARALTA4H
SCHEMBL14967365 0.70 NR4A2 (0.73) LMNATSHRFFAR1NPC1RAB9A
SCHEMBL14966315 0.70 MAPT (0.68) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4779408 0.69 FFAR1 (0.48) FFAR1NPC1RAB9AHSP90AA1POLB

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