SCHEMBL10575587

SCHEMBL10575587

CCCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.88
SMN1; SMN2 Q16637 3/20 0.88
MAPT P10636 2/20 0.88
POLB P06746 1/20 0.88
GAA P10253 1/20 0.88
NFKB1 P19838 2/20 0.83
PMP22 Q01453 1/20 0.83
TSHR P16473 1/20 0.83
PGR P06401 4/20 0.81
SERPINA6 P08185 2/20 0.81
LMNA P02545 2/20 0.81
AR P10275 2/20 0.81
CHRM1 P11229 2/20 0.81
CYP3A4 P08684 2/20 0.79
NR3C2 P08235 4/20 0.73
NR3C1 P04150 3/20 0.73
CYP2C19 P33261 2/20 0.73
HSD17B10 Q99714 2/20 0.73
KMT2A Q03164 2/20 0.73
SHBG P04278 1/20 0.73

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
SCHEMBL2679655 1.00 HIF1A (0.88) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL11252568 1.00 HIF1A (0.88) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL4696 1.00 HIF1A (0.88) HIF1ASMN1; SMN2MAPTPOLBGAA
Hydrocortisone SCHEMBL365193 0.97 HIF1A (0.83) HIF1ASMN1; SMN2MAPTPOLBGAA
Hydrocortisone Acetate SCHEMBL1535103 0.97 HIF1A (0.87) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL80604 0.96 HIF1A (0.95) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL2679288 0.96 HIF1A (0.95) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL16018308 0.96 HIF1A (0.93) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL5084679 0.94 HIF1A (0.98) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL7137200 0.94 HIF1A (1.00) HIF1ASMN1; SMN2MAPTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4837213-A PARAFFIN OIL, FATTY ACID ALAKYL ESTER AND POLYVINYLDIMETHYL SILOXANE-TYPE ELASTOMERIC SILICONE CENTRE INTERNATINAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-06-06 US claimed
US-4837213-A PARAFFIN OIL, FATTY ACID ALAKYL ESTER AND POLYVINYLDIMETHYL SILOXANE-TYPE ELASTOMERIC SILICONE CENTRE INTERNATINAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-06-06 US disclosed