SCHEMBL8935986

SCHEMBL8935986

CC(C(=O)O)C(=O)C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NOS2 P35228 1/20 0.34
SLC6A3 Q01959 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL19913373 0.82 HPGD (0.42) HPGDGAATSHRNPSR1ALDH1A1
SCHEMBL22047383 0.82 HPGD (0.42) HPGDGAATSHRNPSR1ALDH1A1
SCHEMBL888750 0.76 HPGD (0.45) HPGDGAATSHRNPSR1ALDH1A1
SCHEMBL888758 0.76 HPGD (0.45) HPGDGAATSHRNPSR1ALDH1A1
SCHEMBL8086658 0.76 HPGD (0.45) HPGDGAATSHRNPSR1ALDH1A1
SCHEMBL28145524 0.74 TDP1 (0.44) HPGDGAATSHRNPSR1ALDH1A1
SCHEMBL5026802 0.73 NOS2 (0.43) HPGDGAATSHRNPSR1ALDH1A1
SCHEMBL353811 0.73
SCHEMBL7381082 0.73 NOS2 (0.43) HPGDGAATSHRNPSR1ALDH1A1
SCHEMBL9305499 0.73

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494906-A TREATING METABOLIC BONE DISEASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-02-27 US disclosed
US-5478955-A Chemical intermediates WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1995-12-26 US disclosed
US-5397775-A 26,27-dimethylene-1α,25-dihydroxyvitamin D2 and 26,27-dimethylene-24-epi-1α,25-dihydroxyvitamin D2 and methods for preparing same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1995-03-14 US disclosed