SCHEMBL9458663

SCHEMBL9458663

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@@]3(O)C(=O)CO)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.84
HIF1A Q16665 11/20 0.81
CYP3A4 P08684 8/20 0.81
HSD17B10 Q99714 7/20 0.81
ALDH1A1 P00352 2/20 0.81
CYP2C9 P11712 2/20 0.81
TSHR P16473 2/20 0.81
NR3C1 P04150 6/20 0.72
PGR P06401 5/20 0.72
CYP2C19 P33261 4/20 0.72
SERPINA6 P08185 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
MAPT P10636 2/20 0.72
SHBG P04278 2/20 0.72
NR3C2 P08235 2/20 0.72
NFKB1 P19838 1/20 0.72
ABCB11 O95342 2/20 0.68
ABCC4 O15439 1/20 0.68
NR1I2 O75469 1/20 0.68
PDE4D Q08499 1/20 0.68

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
SCHEMBL137529 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL6851992 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL13152832 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL10393880 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL13150977 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL17714999 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL137530 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL17726095 1.00 KMT2A (0.84) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL11702370 0.93 HIF1A (0.81) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1
SCHEMBL142385 0.91 KMT2A (1.00) KMT2AHIF1ACYP3A4HSD17B10ALDH1A1

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-5225335-A Enzymatic dehydrogenation THE UPJOHN COMPANY (US) 1993-07-06 US disclosed