SCHEMBL21362546

SCHEMBL21362546

C=CC(Cc1ccccc1)(Cc1ccccc1)O[PH](=O)OC(C=C)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
MAOB P27338 1/20 0.34
SLC6A2 P23975 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
FDPS P14324 1/20 0.34
CYP1A2 P05177 3/20 0.33
ALOX15 P16050 1/20 0.33
CYP2D6 P10635 2/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.30
TSHR P16473 1/20 0.30
MMP13 P45452 1/20 0.30
PRMT1 Q99873 1/20 0.30

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
SCHEMBL15302591 0.76 CYP2C9 (0.38) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7271496 0.75 SMN1; SMN2 (0.41) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11318157 0.72 FDPS (0.47) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL3363867 0.72 FDPS (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7273150 0.70 CTSK (0.41) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL19810861 0.70 CYP2C9 (0.37) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL28358204 0.69 PPARG (0.34) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL15303046 0.69 MAOB (0.34) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL1727267 0.68 TAAR1 (0.47) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL31028921 0.68 SLC6A2 (0.44) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2

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-10421872-B1 Stain resistant coating composition THE SHERWIN-WILLIAMS COMPANY (US) 2019-09-24 US claimed
US-10421872-B1 Stain resistant coating composition THE SHERWIN-WILLIAMS COMPANY (US) 2019-09-24 US disclosed