SCHEMBL8364852

SCHEMBL8364852

CCOC(=O)[C@H](C)NCCc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
GLA P06280 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 2/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
HPGD P15428 1/20 0.41
MMP8 P22894 3/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CNR1 P21554 1/20 0.40
DPP4 P27487 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
SCHEMBL3558326 0.88 SMN1; SMN2 (0.52) KMT2ANPC1RAB9ASMN1; SMN2MMP8
SCHEMBL29176962 0.84 SMN1; SMN2 (0.45) KMT2ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL29176940 0.78 TAS1R3 (0.44) SMN1; SMN2HPGDALDH1A1CYP4F2CYP4A11
SCHEMBL8432948 0.76 MEN1 (0.46) KMT2ANPC1SMN1; SMN2HPGDMEN1
SCHEMBL5705148 0.76 KMT2A (0.74) KMT2AGLANPC1RAB9ASMN1; SMN2
SCHEMBL7733778 0.74 MAPT (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL7733774 0.74 MAPT (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL11183460 0.74 SCN1A (0.44) HPGDALDH1A1
SCHEMBL10087662 0.74 ALDH1A1 (0.47) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2504506 0.74 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2ALDH1A1

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-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed