SCHEMBL16746159

SCHEMBL16746159

C=C(C(=O)OCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C(F)(F)F)cc3)cc2)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
PRSS1 P07477 4/20 0.39
ACR P10323 3/20 0.39
HSD17B10 Q99714 1/20 0.38
PARP10 Q53GL7 1/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
F2 P00734 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MAPT P10636 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14088558 0.86 LMNA (0.47) KMT2APRSS1ACRNPC1LMNA
SCHEMBL14088404 0.86 RXRA (0.36) KMT2APRSS1ACRPRSS2PRSS3
SCHEMBL11986167 0.86 PPARD (0.40) KMT2ALMNAMAPTTDP1L3MBTL1
SCHEMBL14088560 0.85 POLB (0.52) KMT2APRSS1ACRNPC1LMNA
SCHEMBL13664634 0.83 KMT2A (0.42) KMT2APRSS1ACRHSD17B10PARP10
SCHEMBL21413224 0.82 HTT (0.58) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL11986102 0.81 POLB (0.52) KMT2APRSS1ACRHSD17B10PARP10
SCHEMBL12242713 0.81 POLB (0.52) KMT2APRSS1ACRHSD17B10PARP10
SCHEMBL13664636 0.80 POLB (0.51) KMT2APRSS1ACRHSD17B10PARP10
SCHEMBL22250959 0.80 PRSS1 (0.43) KMT2APRSS1ACRHSD17B10PARP10

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-9505980-B2 Polymerizable liquid crystal composition and optically anisotropic substance having twist alignment JNC CORPORATION (JP) 2016-11-29 US disclosed
US-9399736-B2 Optically anisotropic substance and liquid crystal display JNC CORPORATION (JP) 2016-07-26 US disclosed
US-20160011349-A1 INFRARED REFLECTING FILM AND LAMINATED FILM JNC PETROCHEMICAL CORPORATION (JP) 2016-01-14 US disclosed
US-20150146156-A1 OPTICALLY ANISOTROPIC SUBSTANCE AND LIQUID CRYSTAL DISPLAY JNC CORPORATION (JP) 2015-05-28 US disclosed