SCHEMBL11242496

SCHEMBL11242496

CC1(C)CC(=O)c2c(O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
ALOX15 P16050 4/20 0.40
HSD17B10 Q99714 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 2/20 0.40
THRB P10828 2/20 0.40
HPN P05981 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
KDR P35968 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40

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
SCHEMBL6256987 0.79 PGR (0.44) ALDH1A1PGRHPGDSMN1; SMN2HTT
SCHEMBL31284670 0.78 PGR (0.43) ALDH1A1PGRHPGDSMN1; SMN2CA1
SCHEMBL17460761 0.78 PGR (0.40) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL20478886 0.75 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2ALDH1A1MAPT
SCHEMBL2050931 0.72 BCL2L1 (0.38) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL9663156 0.71 PGR (0.39) TXNRD1TXNRD3TXNRD2ALDH1A1MAPT
SCHEMBL18971575 0.71 CA1 (0.37) ALDH1A1MAPTALOX15HSD17B10TDP1
SCHEMBL20480462 0.70 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL30506306 0.70 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL17867007 0.68 MMP2 (0.40) TXNRD1TXNRD3TXNRD2ALDH1A1MAPT

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-4322414-A MITICIDES; APHIDICIDES; LARVICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-03-30 US disclosed