SCHEMBL9577685

SCHEMBL9577685

O=C(C1=CCCCC1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.50
HDAC4 P56524 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
CCR2 P41597 1/20 0.44
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 2/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CTSK P43235 1/20 0.41
MCL1 Q07820 1/20 0.37
SRD5A2 P31213 1/20 0.37
HSD11B1 P28845 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL15759686 0.98 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL6268542 0.94 HDAC2 (0.52) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL9033169 0.92 HDAC2 (0.47) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL8678742 0.78 HDAC2 (0.44) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL18549036 0.78 HDAC2 (0.44) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL8678744 0.77 HDAC2 (0.43) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL9845414 0.74 HDAC2 (0.41) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL4104945 0.73
SCHEMBL324368 0.73 HDAC2 (0.61) HDAC2HDAC4HDAC8HDAC6CCR2
SCHEMBL7158482 0.73 HDAC2 (0.43) HDAC2HDAC4HDAC8HDAC6CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5240907-A Augment or enhance aroma of perfumes, colognes, perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-08-31 US disclosed
US-5240907-A Augment or enhance aroma of perfumes, colognes, perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-08-31 US disclosed
US-5240907-A Augment or enhance aroma of perfumes, colognes, perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-08-31 US disclosed