SCHEMBL14099005

SCHEMBL14099005

CC1(COCCCCCCCCOc2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc2)COC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 2/20 0.40
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL14099006 1.00 NPC1 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14099008 1.00 NPC1 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14099007 0.99 NPC1 (0.42) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14099025 0.97 HRH2 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14099023 0.97 HRH2 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14099021 0.97 HRH2 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14099027 0.96 HRH2 (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14099053 0.95 ACACB (0.41) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14099009 0.94 MAPT (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL6024892 0.92 LMNA (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407691-B2 Photopolymerizable oxetane derivative and liquid-crystal composition containing it CHISSO CORPORATION (JP) 2008-08-05 US disclosed
US-7407691-B2 Photopolymerizable oxetane derivative and liquid-crystal composition containing it CHISSO CORPORATION (JP) 2008-08-05 US disclosed