SCHEMBL12354517

SCHEMBL12354517

CCC(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
FAAH O00519 3/20 0.47
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL12347965 0.90 KDM4E (0.51) NPC1CYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL26226727 0.89 LMNA (0.51) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL12669183 0.89 LMNA (0.51) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL25501208 0.89 HTT (0.58) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL13476135 0.89 NPC1 (0.63) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL25491912 0.89 LMNA (0.51) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL13476089 0.88 LMNA (0.52) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL25773229 0.88 LMNA (0.56) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL12354521 0.88 MAPT (0.51) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL25501196 0.88 NPC1 (0.52) NPC1LMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998542-B2 Composition, retardation plate, liquid-crystal display device, and method for producing retardation plate FUJIFILM CORPORATION (JP) 2011-08-16 US disclosed
US-20090174844-A1 Composition, Retardation Plate, Liquid-Crystal Display Device, and Method for Producing Retardation Plate FUJIFILM CORPORATION (JP) 2009-07-09 US disclosed