SCHEMBL9299116

SCHEMBL9299116

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)NCCN2CCOCC2)CCN(CC(=O)O)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.70
HSD17B10 Q99714 2/20 0.61
POLB P06746 1/20 0.53
USP2 O75604 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 2/20 0.51
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL23929061 0.92 SMN1; SMN2 (0.82) SMN1; SMN2HSD17B10POLBUSP2HTT
SCHEMBL7131820 0.90 ALDH1A1 (0.55) SMN1; SMN2HSD17B10TDP1
SCHEMBL7128542 0.81 ALDH1A1 (0.67) SMN1; SMN2HSD17B10TSHRKMT2AKDM4E
SCHEMBL24368139 0.81 HSD17B10 (0.91) SMN1; SMN2HSD17B10USP2HTTTSHR
SCHEMBL936468 0.81 HSD17B10 (0.91) SMN1; SMN2HSD17B10USP2HTTTSHR
SCHEMBL6999654 0.81 GLA (0.61) SMN1; SMN2HSD17B10POLBTSHRKMT2A
SCHEMBL26202641 0.79 SMN1; SMN2 (0.57) SMN1; SMN2HSD17B10USP2HTTTSHR
SCHEMBL10567786 0.79 HSD17B10 (0.87) SMN1; SMN2HSD17B10USP2HTTTSHR
SCHEMBL9193218 0.79 HSD17B10 (0.95) SMN1; SMN2HSD17B10USP2HTTTSHR
SCHEMBL20564592 0.79 HSD17B10 (0.95) SMN1; SMN2HSD17B10USP2HTTTSHR

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-5376357-A Magnetic resonance imaging agents MALLINCKRODT MEDICAL, INC. (US) 1994-12-27 US disclosed
US-5011925-A Morpholinoamido EDTA derivatives MALLINCKRODT, INC. (US) 1991-04-30 US disclosed