SCHEMBL7128646

SCHEMBL7128646

CCCCCCC(C)Oc1ccc(-c2ccc(OC(=O)c3ccc(OCCCCCCCCCCOCC4(C)COC4)cc3)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
LMNA P02545 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RARB P10826 6/20 0.40
RARA P10276 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
PTPN11 Q06124 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL7132104 1.00 NPC1 (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7132098 1.00 NPC1 (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7132412 1.00 NPC1 (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7128645 1.00 NPC1 (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7132407 1.00 NPC1 (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL8091835 0.95 RARB (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10526187 0.89 NPC1 (0.50) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10526181 0.89 NPC1 (0.50) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7132551 0.89 TSHR (0.39) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7132762 0.89 TSHR (0.39) NPC1LMNANFKB1NFKB2RELA

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 3 patents. 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
EP-1060226-A1 LIQUID CRYSTAL POLYMER DEVICES AND MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-12-20 EP disclosed
WO-1999043763-A1 LIQUID CRYSTAL POLYMER DEVICES AND MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-09-02 WO disclosed