SCHEMBL3726437

SCHEMBL3726437

CCOc1ccc(Oc2ccc3cc(CCNC(=O)CC)ccc3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.65
MTNR1A P48039 3/20 0.56
MTNR1B P49286 2/20 0.51
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3720835 0.89 ACACB (0.64) ACACBMTNR1AMTNR1BMAPTLMNA
SCHEMBL3726818 0.89 ACACB (0.64) ACACBMTNR1AMTNR1BMAPTLMNA
SCHEMBL3722470 0.88 MAPT (0.51) ACACBMTNR1AMAPTLMNAHTT
SCHEMBL3723896 0.86 GLA (0.59) ACACBMAPTLMNAHTTNPC1
SCHEMBL10188629 0.81 ACACB (0.80) ACACBMTNR1AMAPTLMNANPC1
SCHEMBL9493169 0.81 MTNR1A (0.60) MTNR1AMTNR1BMAPTLMNANPC1
SCHEMBL3720307 0.81 MTNR1A (0.61) ACACBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL165793 0.79 ACACB (1.00) ACACBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3716760 0.79 KMT2A (0.55) ACACBMTNR1AMAPTLMNANPC1
SCHEMBL13652571 0.78 MTNR1A (0.62) ACACBMTNR1AMTNR1BMAPTHTT

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