SCHEMBL8644372

SCHEMBL8644372

O=CCC=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.47
MGLL Q99685 2/20 0.47
CA1 P00915 1/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PAM P19021 1/20 0.44
TP53 P04637 1/20 0.42
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL14312252 0.87 PAM (0.52) HDAC1PAMTRPA1ALDH1A1LMNA
SCHEMBL14312251 0.87 PAM (0.52) HDAC1PAMTRPA1ALDH1A1LMNA
SCHEMBL14312254 0.87 PAM (0.52) HDAC1PAMTRPA1ALDH1A1LMNA
SCHEMBL95863 0.87 PAM (0.56) HDAC2HDAC1HDAC6PAMTRPA1
SCHEMBL1817496 0.87 PAM (0.56) HDAC2HDAC1HDAC6PAMTRPA1
SCHEMBL31634334 0.84 HDAC2 (0.44) HDAC2MGLLCA1GRIK1GRIK2
SCHEMBL17291648 0.82 TRIM24 (0.45) HDAC2CA1HDAC1PAMALDH1A1
SCHEMBL31634319 0.80 GRIK1 (0.41) HDAC2MGLLCA1GRIK1GRIK2
SCHEMBL17181677 0.77 CA1 (0.48) HDAC2MGLLCA1GRIK1GRIK2
SCHEMBL11252486 0.77 CA1 (0.48) HDAC2MGLLCA1GRIK1GRIK2

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
US-5830441-A SUNSCREEN AGENTS ISP INVESTMENTS INC. (US) 1998-11-03 US disclosed