SCHEMBL7126417

SCHEMBL7126417

CCCCCC[C@@H](C)OC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(OCCCCCCCCCCOCC4(C)COC4)cc3)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
RARB P10826 6/20 0.38
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RARA P10276 1/20 0.36
FAAH O00519 8/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7132762 1.00 TSHR (0.39) TSHRRARBNPC1LMNANFKB1
SCHEMBL7132551 1.00 TSHR (0.39) TSHRRARBNPC1LMNANFKB1
SCHEMBL8091835 0.91 RARB (0.40) RARBNPC1LMNANFKB1NFKB2
SCHEMBL7132429 0.90 RARB (0.37) TSHRRARBNPC1LMNANFKB1
SCHEMBL7131557 0.90 RARB (0.37) TSHRRARBNPC1LMNANFKB1
SCHEMBL7125266 0.90 NPC1 (0.45) TSHRRARBNPC1LMNANFKB1
SCHEMBL7129436 0.90 NPC1 (0.45) TSHRRARBNPC1LMNANFKB1
SCHEMBL7130354 0.90 NPC1 (0.45) TSHRRARBNPC1LMNANFKB1
SCHEMBL7132407 0.89 NPC1 (0.40) TSHRRARBNPC1LMNANFKB1
SCHEMBL7128645 0.89 NPC1 (0.40) TSHRRARBNPC1LMNANFKB1

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-6666989-B1 Electrical and electro-optic apparatus comprising spaced glass panels having polyethers and electrodes on the interior surfaces, used as detectors, screens and in nonlinear optical apparatus QINETIQ LIMITED (GB) 2003-12-23 US disclosed