SCHEMBL11110241

SCHEMBL11110241

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 13/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MAPT P10636 2/20 0.62
▸ POLB P06746 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ LMNA P02545 3/20 0.56
▸ PGR P06401 5/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ SERPINA6 P08185 3/20 0.51
▸ AR P10275 2/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ CYP3A4 P08684 4/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ NR3C1 P04150 5/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ NR3C2 P08235 2/20 0.48
▸ ABCB11 O95342 1/20 0.48

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
Hydrochloric Acid SCHEMBL11053488 0.99 HIF1A (0.61) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL11108120 0.99 HIF1A (0.61) HIF1ASMN1; SMN2MAPTPOLBGAA
Hydrochloric Acid SCHEMBL11058103 0.99 HIF1A (0.60) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL7574132 0.92 HIF1A (0.73) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL10603555 0.90 HIF1A (0.65) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL10883093 0.90 HIF1A (0.63) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL10527431 0.87 HIF1A (0.62) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL770501 0.86 HIF1A (0.72) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL10883182 0.86 HIF1A (0.59) HIF1ASMN1; SMN2MAPTPOLBGAA
SCHEMBL10923487 0.85 HIF1A (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104746-A1 21-Hydroxycorticosteroid esters, and compositions containing them THE UPJOHN COMPANY (US) 1984-04-04 — — EP claimed
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