SCHEMBL27754841

SCHEMBL27754841

Cc1cc2cc(C(=O)O)ccc2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
NOTUM Q6P988 1/20 0.55
CCR2 P41597 2/20 0.54
PPARG P37231 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
NR4A1 P22736 1/20 0.53
APEX1 P27695 1/20 0.53
APOBEC3A P31941 1/20 0.53

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
Hydrochloric Acid SCHEMBL29595575 0.99 HDAC1 (0.57) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL9953494 0.89 CCR2 (0.55) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL11977114 0.89 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL4056126 0.86 HDAC6 (0.74) HDAC1HDAC2HDAC8HDAC6HDAC9
Hydrochloric Acid SCHEMBL29595457 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL2162542 0.85 TSHR (0.60) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL14211142 0.83 PPARG (0.56) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL14549402 0.82 KMT2A (0.51) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL14120692 0.79 PPARG (0.59) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL6817364 0.79 CCR2 (0.52) HDAC1HDAC2HDAC8HDAC6HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384550-B Amide derivative or salt thereof ASTELLAS PHARMA INC 2011-08-31 CN disclosed
CN-101384550-A Amide derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-11 CN disclosed