SCHEMBL3723896

SCHEMBL3723896

CCOC(=O)NCCc1ccc2cc(Oc3ccc(OCC)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.59
KMT2A Q03164 1/20 0.59
ACACB O00763 2/20 0.49
MAPT P10636 8/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.47
CES2 O00748 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL3716760 0.92 KMT2A (0.55) GLAKMT2AACACBMAPTLMNA
SCHEMBL3722470 0.91 MAPT (0.51) GLAKMT2AACACBMAPTLMNA
SCHEMBL3726818 0.88 ACACB (0.64) ACACBMAPTLMNAHTTNPC1
SCHEMBL3721755 0.87 GLA (0.55) GLAKMT2AACACBMAPTCES2
SCHEMBL3726437 0.86 ACACB (0.65) ACACBMAPTLMNAHTTNPC1
SCHEMBL3726751 0.82 ACACB (0.52) GLAKMT2AACACBMAPTLMNA
SCHEMBL793712 0.82 KMT2A (0.63) GLAKMT2AMAPTHTTCES2
SCHEMBL14215541 0.80 GLA (0.74) GLAKMT2AACACBLMNANPC1
SCHEMBL3720307 0.80 MTNR1A (0.61) ACACBSMN1; SMN2
SCHEMBL12673018 0.78 GLA (0.70) GLAKMT2AACACBMAPTLMNA

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO claimed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed