SCHEMBL9856401

SCHEMBL9856401

CCC(C)Oc1ccc(OCCOC(=O)NC2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ACACB O00763 3/20 0.44
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9856371 0.83 ACACB (0.45) L3MBTL1ACACBKMT2AMAPTKDM4E
SCHEMBL9856151 0.83 ACACB (0.45) L3MBTL1ACACBKMT2AMAPTKDM4E
SCHEMBL9856638 0.83 ACACB (0.45) L3MBTL1ACACBKMT2AMAPTKDM4E
SCHEMBL9856572 0.82 ACACB (0.47) ACACBMAPTHRH3LMNATP53
SCHEMBL9856665 0.81 ACACB (0.49) ACACBKDM4EALDH1A1HRH3LMNA
SCHEMBL9856033 0.80 ACACB (0.43) ACACBKMT2AMAPTKDM4EMEN1
SCHEMBL9856673 0.74 MAPT (0.49) L3MBTL1ACACBKMT2AMAPTKDM4E
SCHEMBL9856531 0.74 KMT2A (0.45) ACACBKMT2AMAPTKDM4EALDH1A1
SCHEMBL10794790 0.74 TAS1R3 (0.47) L3MBTL1KMT2AMAPTALDH1A1MEN1
SCHEMBL10385565 0.73 KMT2A (0.61) ACACBKMT2AALDH1A1MEN1HRH3

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
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed