SCHEMBL9820440

SCHEMBL9820440

CONC1=CCCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL2846686 0.77
SCHEMBL20511739 0.69 GAA (0.42) GSTP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1804084 0.68
SCHEMBL20511807 0.68 TP53 (0.37) GSTP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20511846 0.68 HIF1A (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6575838 0.67 HDAC4 (0.41) GSTP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20434138 0.66 POLB (0.41) MAPTALDH1A1
SCHEMBL745837 0.64
SCHEMBL15800663 0.64
SCHEMBL11502520 0.63 MAPT (0.41) GSTP1HDAC3HDAC4HDAC1HDAC7

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
EP-0249813-B1 CERTAIN SUBSTITUTED 3-AMINO-2-BENZOYLCYCLOHEX-2-ENONES STAUFFER CHEMICAL COMPANY (US) 1991-07-24 EP disclosed
US-4775411-A HERBICIDES STAUFFER CHEMICA COMPANY (US) 1988-10-04 US disclosed
EP-0249813-A1 Certain substituted 3-amino-2-benzoylcyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1987-12-23 EP disclosed