SCHEMBL8044798

SCHEMBL8044798

[CH2]CCCSc1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL5071846 0.93 IFNAR1 (0.37) IFNAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8038665 0.89 IFNAR1 (0.41) IFNAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6293960 0.88 IFNAR1 (0.43) IFNAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2607673 0.81 TLR8 (0.50) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL11552030 0.81 HTR1B (0.47) IFNAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2607768 0.81 ALDH1A1 (0.45) IFNAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1156874 0.80 IFNAR1 (0.43) IFNAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18758015 0.80 PTGS2 (0.49) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL30417186 0.80 PTGS2 (0.49) IFNAR1ALDH1A1LMNAMAPK1NPY1R
SCHEMBL5316461 0.79 PTGS2 (0.50) IFNAR1ALDH1A1LMNAMAPK1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed