SCHEMBL10567786

SCHEMBL10567786

O=C(O)CN1CCOCCN(CC(=O)O)CCN(CC(=O)O)CC1.[Gd]

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.87
KDM4E B2RXH2 3/20 0.59
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
GLA P06280 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL936468 0.98 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL24368139 0.98 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL15935 0.95 HSD17B10 (0.95) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL20564592 0.95 HSD17B10 (0.95) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL3873222 0.95 HSD17B10 (0.95) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL9193218 0.95 HSD17B10 (0.95) HSD17B10KDM4EALOX15TSHRGLA
Hydrochloric Acid SCHEMBL1128463 0.93 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL15572215 0.93 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL6858111 0.93 HSD17B10 (1.00) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL5762765 0.93 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA

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-4885363-A RADIOPHARMACEUTICAL IMAGING; MEDICAL DIAGNOSIS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US claimed