SCHEMBL8729148

SCHEMBL8729148

CN(CC(=O)O)C(=O)c1ccccc1.O=C(O)CCC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.65
ALDH1A1 P00352 3/20 0.59
GAA P10253 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
FFAR1 O14842 1/20 0.53
CYP1A2 P05177 1/20 0.53
RAB9A P51151 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL2282162 0.88 KMT2A (0.53) ALDH1A1KMT2AHDAC1HDAC6MEN1
Hydrochloric Acid SCHEMBL1372985 0.86 KMT2A (0.51) ALDH1A1KMT2ARAB9AHDAC1HDAC6
SCHEMBL11606625 0.83 ALDH1A1 (0.55) NR4A2ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL30530699 0.81 HPGD (0.59) ALDH1A1KMT2ASMN1; SMN2RAB9AHDAC1
SCHEMBL11271325 0.81 NR4A2 (0.55) NR4A2ALDH1A1GAACYP2C19KMT2A
SCHEMBL11107022 0.80 HDAC1 (0.45) ALDH1A1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL354105 0.80 NR4A2 (1.00) NR4A2ALDH1A1GAACYP2C19KMT2A
SCHEMBL8729152 0.80 KMT2A (0.49) NR4A2ALDH1A1GAACYP2C19KMT2A
SCHEMBL6547078 0.78 NR4A2 (0.95) NR4A2ALDH1A1GAACYP2C19KMT2A
SCHEMBL7408024 0.78 NR4A2 (0.95) NR4A2ALDH1A1GAACYP2C19KMT2A

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-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed