SCHEMBL11061872

SCHEMBL11061872

Nc1ccccc1NCCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.63
HDAC3 O15379 14/20 0.63
HDAC2 Q92769 10/20 0.63
NCOR2 Q9Y618 6/20 0.63
HDAC10 Q969S8 6/20 0.57
HDAC6 Q9UBN7 6/20 0.57
HDAC4 P56524 5/20 0.57
HDAC7 Q8WUI4 5/20 0.57
HDAC11 Q96DB2 5/20 0.57
HDAC8 Q9BY41 5/20 0.57
HDAC9 Q9UKV0 5/20 0.57
HDAC5 Q9UQL6 5/20 0.57
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TBXA2R P21731 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL863993 1.00 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL3871501 0.93 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL13728016 0.86 ALDH1A1 (0.64) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL24327215 0.86 HDAC3 (0.58) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL6247309 0.84 HDAC3 (0.53) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL8720375 0.84 HDAC3 (0.53) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL215272 0.82 HDAC3 (0.50) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL7940066 0.82 ALDH1A1 (0.50) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL5518973 0.81 ALDH1A1 (0.76) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL5514066 0.81 ALDH1A1 (0.76) HDAC1HDAC3HDAC2NCOR2HDAC10

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-4433094-A BUTADIENE-STYRENE COPOLYMER AND DIENE RUBBER, CARBON BLACK AND VULCANIZATION AGENT BRIDGESTONE TIRE COMPANY LIMITED (JP) 1984-02-21 US disclosed