SCHEMBL9437585

SCHEMBL9437585

CCCCC(C(=O)O)N1CC(=O)NC(Cc2c[nH]c3ccccc23)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.51
SOAT1 P35610 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
TACR1 P25103 1/20 0.49
LMNA P02545 2/20 0.48
PKM P14618 2/20 0.48
STAT3 P40763 1/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL9437650 0.94 HDAC1 (0.51) SOAT2SOAT1HDAC1HDAC8HDAC6
SCHEMBL9437576 0.87 LMNA (0.52) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL9026317 0.75 HDAC1 (0.59) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL28359839 0.73 HDAC1 (0.59) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL28359843 0.73 HDAC1 (0.59) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL7822959 0.72 HDAC1 (0.75) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL4287307 0.72 HDAC1 (0.75) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL9026182 0.69 KMT2A (0.58) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL838180 0.68 KMT2A (0.75) LMNAPKMMAPTTP53GLA
SCHEMBL4417183 0.68 IDO1 (0.55) HDAC1HDAC8HDAC6HDAC4HDAC7

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-5340802-A Central nervous system disorders ABBOTT LABORATORIES (US) 1994-08-23 US disclosed