SCHEMBL3786964

SCHEMBL3786964

CC(=CCC(=O)O[Si](C)(C)CCCc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
POLB P06746 2/20 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
SCHEMBL3791370 0.92 CYP2C9 (0.41) CYP2C9ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3781076 0.83 CYP2C9 (0.40) CYP2C9ALDH1A1HPGDTRPV1TSHR
SCHEMBL3789698 0.80 EP300 (0.32)
SCHEMBL475996 0.80 ALDH1A1 (0.46) CYP2C9ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3784034 0.79 EP300 (0.34)
SCHEMBL3782111 0.78 EP300 (0.37) ALDH1A1HDAC11KMT2ATSHR
SCHEMBL3778021 0.78 EP300 (0.37) ALDH1A1HDAC11KMT2ATSHR
SCHEMBL3783911 0.78 EP300 (0.37) ALDH1A1HDAC11KMT2ATSHR
SCHEMBL3791307 0.78 EP300 (0.37) ALDH1A1HDAC11KMT2ATSHR
SCHEMBL3782706 0.78 EP300 (0.37) ALDH1A1HDAC11KMT2ATSHR

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-20100183540-A1 BRANCHED POLYMER AND ANTIFOULING COATING COMPOSITION COMPRISING THE POLYMER JOTUN A/S (NO) 2010-07-22 US disclosed