SCHEMBL9856510

SCHEMBL9856510

CCOC(=O)NC(C)Oc1ccc(SC(C)CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
MAPK1 P28482 1/20 0.41
ACACB O00763 1/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 4/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
CRHBP P24387 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR2 Q13324 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL10394601 0.82 MTNR1A (0.46) SMN1; SMN2LMNAKMT2AGLAHPGD
SCHEMBL9856492 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1ACACBLMNAHTT
SCHEMBL9856511 0.77 L3MBTL1 (0.47) SMN1; SMN2MAPK1ACACBKMT2AGLA
SCHEMBL9856629 0.75 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1ACACBLMNAKMT2A
SCHEMBL8155301 0.75 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1ACACBLMNAHTT
SCHEMBL9856226 0.74 MTNR1A (0.44) SMN1; SMN2MAPK1LMNAHTTKMT2A
SCHEMBL10795235 0.74 HTT (0.33) SMN1; SMN2MAPK1LMNAHTTKMT2A
SCHEMBL9856588 0.71 PRKAB2 (0.34) ACACBHTTKMT2AALDH1A1MEN1
SCHEMBL10394858 0.71 MTNR1A (0.48) SMN1; SMN2LMNA
SCHEMBL10800442 0.71 MAPT (0.38) SMN1; SMN2LMNAHTTKMT2AHPGD

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