SCHEMBL4666437

SCHEMBL4666437

C=C(CCCc1ccccc1)C(=O)O.C=C(CCCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.64
HDAC2 Q92769 4/20 0.64
HDAC3 O15379 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
MAPK1 P28482 1/20 0.64
ADRA1A P35348 1/20 0.64
SLC6A3 Q01959 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPC1 O15118 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58

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
SCHEMBL114130 1.00 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL11273048 0.98 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL17940810 0.96 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL443150 0.94 MAPT (0.63) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL444700 0.93 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL8971314 0.92 MAPT (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL6666636 0.92 MAPT (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL343139 0.92 MAPT (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL626409 0.92 MAPT (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL445600 0.92 MAPT (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6

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
EP-1208393-B1 COVALENTLY-BOUND, HYDROPHILIC COATING COMPOSITIONS FOR IMPLANTS ALCON INC (CH) 2008-10-08 EP claimed
EP-1207808-B1 HYDROPHOBICALLY-BOUND, HYDROPHILIC COATING COMPOSITIONS FOR SURGICAL IMPLANTS ALCON INC (CH) 2005-01-12 EP claimed