SCHEMBL4580837

SCHEMBL4580837

CCCCC1(c2cc(C)ccc2C)C(=O)Oc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CRHBP P24387 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.32
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
CYP1A1 P04798 2/20 0.32
PPARG P37231 1/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32

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
SCHEMBL1557114 0.82 SCN9A (0.35) HTTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL28813338 0.82 MMP2 (0.35) HTTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL5819202 0.82 CYP1A1 (0.35) HTTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL4449571 0.79 MMP2 (0.48) MEN1KMT2ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL3896300 0.74 MMP2 (0.56) MEN1KMT2ACYP2C9CYP2C19NPSR1
SCHEMBL3897034 0.74 MMP2 (0.56) MEN1KMT2ACYP2C9CYP2C19NPSR1
SCHEMBL27807661 0.72 BDKRB2 (0.39) MEN1KMT2ACYP2C9CYP2C19NPSR1
SCHEMBL4445357 0.72 MMP2 (0.42) CYP2C9CYP2C19SMN1; SMN2NPSR1ALDH1A1
SCHEMBL27359120 0.72 HTT (0.36) HTTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL1828711 0.72 MMP2 (0.41) HTTMEN1KMT2ACYP3A4CYP2C9

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-20080043176-A1 Method of Manufacturing a Polarizing Plate Protective Film, Polarizing Plate Protective Film, Polarizing Plate, and Liquid Crystal Display Device KONICA MINOLTA OPTO, INC. (JP) 2008-02-21 US disclosed
US-20080013173-A1 METHOD OF MANUFACTURING A POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE KONICA MINOLTA OPTO, INC. (JP) 2008-01-17 US disclosed