SCHEMBL11050995

SCHEMBL11050995

CCC(CC)(CCCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL6778470 0.96 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11049302 0.92 HPGD (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL585945 0.89 ALDH1A1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18085386 0.85 ALDH1A1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7867489 0.81 KMT2A (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8954730 0.81 POLB (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6774953 0.81 ALOX5 (0.47) SMN1; SMN2KMT2AMEN1KDM4ELMNA
Naphthalene SCHEMBL31299700 0.79 KMT2A (0.40) HDAC3HDAC1HDAC2SMN1; SMN2MAPT
SCHEMBL11032243 0.78 MAPT (0.69) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL584902 0.78 LTB4R (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6

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-4464290-A REMOVAL OF CONIFERYL BENZOATE AND ACETATE SHISEIDO COMPANY LTD. (JP) 1984-08-07 US disclosed