SCHEMBL11744707

SCHEMBL11744707

CC(=O)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.70
POLB P06746 1/20 0.70
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 1/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 2/20 0.56
PTGS1 P23219 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
FAAH O00519 2/20 0.56
MEN1 O00255 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL15384437 0.91 LMNA (0.64) HSD17B10POLBALDH1A1LMNASMN1; SMN2
SCHEMBL179087 0.88 LMNA (0.60) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL30544976 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4LMNASMN1; SMN2RAB9A
SCHEMBL2730357 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4LMNASMN1; SMN2RAB9A
SCHEMBL25987647 0.85 SMN1; SMN2 (0.74) HSD17B10POLBALDH1A1CYP3A4LMNA
SCHEMBL13853584 0.85 RAB9A (0.58) HSD17B10POLBALDH1A1CYP3A4LMNA
SCHEMBL179083 0.85 LMNA (0.64) POLBALDH1A1LMNARAB9ANPC1
SCHEMBL4741336 0.85 LMNA (0.57) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL4991673 0.84 SMN1; SMN2 (0.73) HSD17B10ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL5540748 0.84 POLB (0.56) HSD17B10POLBALDH1A1LMNASMN1; SMN2

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
US-4065473-A Intermediates in the preparation of 2,3,4,5-tetrahydro-1H-3-benzazepines HOFFMANN-LA ROCHE INC. (US) 1977-12-27 US disclosed