SCHEMBL22476662

SCHEMBL22476662

CCC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.85
NR3C1 P04150 7/20 0.85
SMN1; SMN2 Q16637 3/20 0.85
CYP2C19 P33261 2/20 0.85
HSD17B10 Q99714 2/20 0.85
PGR P06401 2/20 0.85
SERPINA6 P08185 2/20 0.85
CYP3A4 P08684 2/20 0.85
MAPT P10636 2/20 0.85
NFKB1 P19838 2/20 0.85
NR3C2 P08235 2/20 0.85
SHBG P04278 1/20 0.85
KMT2A Q03164 1/20 0.85
LMNA P02545 2/20 0.80
AR P10275 1/20 0.78
CHRM1 P11229 1/20 0.78
POLB P06746 1/20 0.71
GAA P10253 1/20 0.71
PMP22 Q01453 1/20 0.70
TSHR P16473 1/20 0.70

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
SCHEMBL14513165 1.00 HIF1A (0.85) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL1817395 1.00 HIF1A (0.85) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL143923 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL1560948 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL10261067 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL24900238 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL19465688 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL6932400 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL1688689 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL12737556 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10

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
EP-2935572-B1 ENGINEERED BIOCATALYSTS AND METHODS FOR SYNTHESIZING CHIRAL AMINES CODEXIS INC (US) 2020-09-30 EP disclosed