SCHEMBL14099009

SCHEMBL14099009

CC1(COCCOc2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc2)COC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
EPHX2 P34913 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL14099030 0.97 HRH2 (0.42) MAPTPRSS1ACRNPC1LMNA
SCHEMBL14099007 0.95 NPC1 (0.42) MAPTPRSS1ACRNPC1LMNA
SCHEMBL14099006 0.94 NPC1 (0.43) MAPTPRSS1ACRNPC1LMNA
SCHEMBL14099005 0.94 NPC1 (0.43) MAPTPRSS1ACRNPC1LMNA
SCHEMBL14099008 0.94 NPC1 (0.43) MAPTPRSS1ACRNPC1LMNA
SCHEMBL14099027 0.92 HRH2 (0.44) MAPTPRSS1ACRNPC1LMNA
SCHEMBL13340889 0.91 CACNA1H (0.39) EPHX2KMT2ASMN1; SMN2MMP2MMP9
SCHEMBL14099023 0.91 HRH2 (0.43) MAPTPRSS1ACRNPC1LMNA
SCHEMBL14099025 0.91 HRH2 (0.43) MAPTPRSS1ACRNPC1LMNA
SCHEMBL14099021 0.91 HRH2 (0.43) MAPTPRSS1ACRNPC1LMNA

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