SCHEMBL10606730

SCHEMBL10606730

CC1=CC(=O)C=C2CC[C@@H]3[C@H](C(O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)COC(=O)CCCCC[S+]([O-])CC(=O)O)[C@@]12C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 13/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ NFKB1 P19838 2/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PGR P06401 4/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ NR3C1 P04150 4/20 0.49
▸ SERPINA6 P08185 3/20 0.49
▸ AR P10275 2/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CYP3A4 P08684 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ NR3C2 P08235 2/20 0.46
▸ ABCB11 O95342 1/20 0.46

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
SCHEMBL10603555 0.92 HIF1A (0.65) HIF1ASMN1; SMN2LMNAMAPTPOLB
SCHEMBL770501 0.89 HIF1A (0.72) HIF1ASMN1; SMN2LMNAMAPTPOLB
SCHEMBL11046999 0.89 HIF1A (0.53) HIF1ASMN1; SMN2LMNAMAPTPOLB
SCHEMBL7574132 0.89 HIF1A (0.73) HIF1ASMN1; SMN2LMNAMAPTPOLB
SCHEMBL10883093 0.88 HIF1A (0.63) HIF1ASMN1; SMN2LMNAMAPTPOLB
SCHEMBL871152 0.86 HIF1A (0.76) HIF1ASMN1; SMN2LMNAMAPTPOLB
SCHEMBL10923487 0.86 HIF1A (0.58) HIF1ASMN1; SMN2LMNAMAPTPOLB
SCHEMBL11110241 0.85 HIF1A (0.62) HIF1ASMN1; SMN2LMNAMAPTPOLB
Hydrochloric Acid SCHEMBL11053488 0.85 HIF1A (0.61) HIF1ASMN1; SMN2LMNAMAPTPOLB
SCHEMBL11108120 0.84 HIF1A (0.61) HIF1ASMN1; SMN2LMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4588718-A ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1986-05-13 — — US claimed
EP-0157567-A2 Carboxy-containing ester prodrugs of corticosteroids THE UPJOHN COMPANY (US) 1985-10-09 — — EP claimed
EP-0157567-B1 CARBOXY-CONTAINING ESTER PRODRUGS OF CORTICOSTEROIDS THE UPJOHN COMPANY (US) 1989-11-29 — — EP disclosed
US-4588718-A ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1986-05-13 — — US disclosed
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