SCHEMBL9724403

SCHEMBL9724403

COc1cscc1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
GAA P10253 4/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 5/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 2/20 0.39
ABL1 P00519 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
RIN1 Q13671 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA5A P35218 1/20 0.37
MMP2 P08253 2/20 0.37
MMP12 P39900 2/20 0.37

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
SCHEMBL7117492 0.81 POLB (0.45) HSD17B10NPSR1POLBLMNA
SCHEMBL22528255 0.79 AKR1B1 (0.46) HSD17B10GAATSHRTDP1KDM4E
SCHEMBL9298002 0.77
Bicarbonate SCHEMBL6617803 0.77 CA12 (0.43) ALDH1A1TSHRTDP1KDM4EHPGD
SCHEMBL4240144 0.75
SCHEMBL11420544 0.75 HSD17B10 (0.67) HSD17B10GAAALDH1A1TSHRNFKB1
SCHEMBL16109698 0.75 HSD17B10 (0.61) HSD17B10GAAALDH1A1TSHRNFKB1
SCHEMBL17536611 0.74 ALOX15 (0.41) HSD17B10TSHRTDP1NPSR1HPGD
SCHEMBL5010452 0.73
SCHEMBL28611348 0.72 HSD17B10 (0.62) HSD17B10GAAALDH1A1TSHRNFKB1

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-5158948-A Treating neurological and psychological disorders ABBOTT LABORATORIES (US) 1992-10-27 US disclosed