SCHEMBL11236632

SCHEMBL11236632

NC(C(=O)O)c1ccc2c(c1)CCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
PRKCI P41743 1/20 0.47
HSD17B10 Q99714 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 3/20 0.46
CYP2C9 P11712 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
FFAR1 O14842 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
Bromide SCHEMBL11347047 0.98 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11234036 0.89 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13789557 0.84 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11464355 0.84 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11462446 0.83 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3619668 0.82 PTGS1 (0.66) HSD17B10TDP1MEN1CYP2C9KMT2A
SCHEMBL27581541 0.81 PTGS1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6561480 0.81 FFAR1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1915188 0.78 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11480526 0.78 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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-4341792-A ANTIDIABETIC AND CARDIOTONIC AGENTS PFIZER INC. (US) 1982-07-27 US disclosed
US-4229575-A ANTIBIOTICS RICHARDSON-MERRELL INC. (US) 1980-10-21 US disclosed
US-4138397-A BACTERICIDES RICHARDSON-MERRELL INC. (US) 1979-02-06 US disclosed