SCHEMBL28868256

SCHEMBL28868256

CC(C)(C)c1ccccc1C=CC=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
MASP2 O00187 1/20 0.42
F2 P00734 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
MAOB P27338 3/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL8402490 0.88 NFKB1 (0.56) NFKB1CA1CA2CA4SMN1; SMN2
SCHEMBL818741 0.88 NFKB1 (0.56) NFKB1CA1CA2CA4SMN1; SMN2
SCHEMBL6662586 0.83 NFKB1 (0.65) NFKB1CA1CA2CA4MASP2
SCHEMBL17866912 0.80 NFKB1 (0.53) NFKB1CA1CA2CA4MASP2
SCHEMBL13004933 0.80 NFKB1 (0.53) NFKB1CA1CA2CA4MASP2
SCHEMBL17866914 0.80 NFKB1 (0.53) NFKB1CA1CA2CA4MASP2
SCHEMBL13004328 0.80 NFKB1 (0.53) NFKB1CA1CA2CA4MASP2
SCHEMBL22026727 0.79 NFKB1 (0.68) NFKB1SMN1; SMN2MAOBATMTDP1
SCHEMBL28280599 0.77 CA1 (0.47) NFKB1CA1CA2CA4MASP2
SCHEMBL3374770 0.77 CDK4 (0.52) NFKB1CA2MAOBATMTDP1

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
CN-109097013-A A kind of high temperature resisting type oil base drilling fluid pressure-bearing sealing agent and preparation method thereof 中国海洋石油集团有限公司 2018-12-28 CN claimed