SCHEMBL11077052

SCHEMBL11077052

C=CCOc1ccc(CCNC(=O)OCC(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.52
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49
MEN1 O00255 1/20 0.45
FAAH O00519 2/20 0.45
CYP2D6 P10635 1/20 0.44
POLB P06746 1/20 0.44
ABCB1 P08183 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
NDUFS8 O00217 1/20 0.42
COXFA4 O00483 1/20 0.42
NDUFAB1 O14561 1/20 0.42
NDUFA1 O15239 1/20 0.42
NDUFS4 O43181 1/20 0.42
NDUFB5 O43674 1/20 0.42
NDUFB3 O43676 1/20 0.42
NDUFC1 O43677 1/20 0.42
NDUFA2 O43678 1/20 0.42

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
SCHEMBL29037917 0.82 GLA (0.72) ACACBKMT2AGLAALDH1A1LMNA
SCHEMBL4590122 0.81 KMT2A (0.59) ACACBKMT2AGLAFAAHPOLB
SCHEMBL97962 0.80 CA2 (0.48) ACACBKMT2AGLAMEN1POLB
SCHEMBL132095 0.79 POLB (0.51) ACACBKMT2AGLAMEN1POLB
SCHEMBL9507749 0.78 CASP1 (0.51) KMT2AGLAFAAHPOLB
SCHEMBL11080137 0.75 LMNA (0.41) KMT2AGLAMEN1FAAHPOLB
SCHEMBL4589632 0.75 KMT2A (0.54) KMT2AGLAMEN1FAAHSMN1; SMN2
SCHEMBL938733 0.73 TGM2 (0.60) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7387003 0.73 CASP1 (0.43) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL6996476 0.72 KMT2A (0.47) KMT2AGLAMEN1FAAHALDH1A1

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-4435397-A ADRENERGIC BLOCKING AGENTS, 4-(3-ARYLOXY-2-HYDROXYPROPYL) SUBSTITUTED NIPPON SHINYAKU CO., LTD. (JP) 1984-03-06 US disclosed