SCHEMBL16379523

SCHEMBL16379523

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ PRSS1 P07477 1/20 0.46
▸ ACR P10323 1/20 0.46
▸ HTT P42858 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL21113772 1.00 NPC1 (0.49) NPC1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL13197222 1.00 NPC1 (0.49) NPC1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL13572566 0.99 NPC1 (0.50) NPC1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL13922519 0.99 NPC1 (0.50) NPC1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL13572558 0.99 NPC1 (0.50) NPC1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL12768595 0.99 NPC1 (0.50) NPC1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL12768477 0.95 NPC1 (0.47) NPC1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL22891219 0.95 NPC1 (0.49) NPC1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL13220816 0.93 THRB (0.55) NPC1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL450098 0.93 THRB (0.55) NPC1LMNACYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 — — US disclosed
US-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 — — US disclosed
US-20150002789-A1 OPTICALLY-COMPENSATORY FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND METHOD OF PRODUCING OPTICALLY-COMPENSATORY FILM FUJIFILM CORPORATION (JP) 2015-01-01 — — US disclosed
US-20150002789-A1 OPTICALLY-COMPENSATORY FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND METHOD OF PRODUCING OPTICALLY-COMPENSATORY FILM FUJIFILM CORPORATION (JP) 2015-01-01 — — US disclosed
Send feedback