SCHEMBL8501988

SCHEMBL8501988

CCCCCCCOc1ccc(C(N)CC(CO)CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.59
NR5A1 Q13285 1/20 0.47
LMNA P02545 2/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
POLB P06746 1/20 0.42
PLA2G4B P0C869 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
Hydrochloric Acid SCHEMBL8505082 0.92 SLC2A1 (0.63) SLC2A1NR5A1LMNAMMP9MMP8
Hydrochloric Acid SCHEMBL8505084 0.92 SLC2A1 (0.63) SLC2A1NR5A1LMNAMMP9MMP8
SCHEMBL8966309 0.83 SLC2A1 (0.68) SLC2A1NR5A1LMNAMMP9MMP8
SCHEMBL8966727 0.83 SLC2A1 (0.68) SLC2A1NR5A1LMNAMMP9MMP8
SCHEMBL8501636 0.82 SPHK1 (0.50) LMNATP53HSD17B10S1PR1S1PR3
SCHEMBL8501713 0.82 SPHK1 (0.50) LMNATP53HSD17B10S1PR1S1PR3
SCHEMBL8503490 0.82 SPHK1 (0.50) LMNATP53HSD17B10S1PR1S1PR3
Hydrochloric Acid SCHEMBL8502991 0.78 TSHR (0.48) SLC2A1LMNATP53MEN1KMT2A
Hydrochloric Acid SCHEMBL8503397 0.78 TSHR (0.48) SLC2A1LMNATP53MEN1KMT2A
SCHEMBL8504675 0.75 SPHK1 (0.47) LMNATP53HSD17B10S1PR1S1PR3

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-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed