SCHEMBL11333348

SCHEMBL11333348

COC(=O)C(C)(C)Nc1ccc(Oc2ccc(NC(C)(C)C(=O)OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
FPR2 P25090 1/20 0.44
SCN9A Q15858 1/20 0.44
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL19707373 0.83 RAB9A (0.53) HPGDALDH1A1KDM4ERAB9AMAPT
SCHEMBL19707314 0.81 POLB (0.54) ELANESMN1; SMN2ALDH1A1PDK1PDK2
SCHEMBL9756879 0.81 MAPT (0.59) ELANESMN1; SMN2ALDH1A1PDK1PDK2
SCHEMBL11063035 0.80 SAE1 (0.47) ELANESMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL5954995 0.79 HPGD (0.56) SMN1; SMN2HPGDALDH1A1PDK1PDK2
SCHEMBL31476802 0.79 ESR2 (0.41) ELANESMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL19707395 0.77 MAPT (0.45) SMN1; SMN2ALDH1A1KDM4ERAB9AMAPT
SCHEMBL5955245 0.77 RAB9A (0.62) SMN1; SMN2HPGDALDH1A1KDM4ERAB9A
SCHEMBL7022751 0.76 CYP4A11 (0.51) HPGDRAB9AMAPTNPC1
SCHEMBL11729043 0.76 MAPT (0.45) SMN1; SMN2PDK1PDK2PDK3PDK4

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-4269750-A Process for the preparation of polymers containing hydantoin groups BAYER AKTIENGESELLSCHAFT (DE) 1981-05-26 US disclosed