SCHEMBL8731191

SCHEMBL8731191

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CBr

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.85
▸ NR3C1 P04150 8/20 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
▸ NFKB1 P19838 2/20 0.85
▸ MAPT P10636 2/20 0.85
▸ SHBG P04278 1/20 0.85
▸ NR3C2 P08235 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
▸ PMP22 Q01453 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ POLB P06746 1/20 0.69
▸ GAA P10253 1/20 0.69

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
SCHEMBL8731184 1.00 HIF1A (0.85) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL10292969 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL6370134 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL13202859 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL13046615 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL24900238 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL15114813 0.92 HIF1A (1.00) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL12396665 0.92 HIF1A (0.85) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL22476662 0.92 HIF1A (0.85) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
Hydrocortisone SCHEMBL10261067 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648229-B1 HYALURONIC ACID AND DERIVATIVES THEREOF IN INTERPENETRATING POLYMER NETWORKS (IPN) MURST ITALIAN (IT) 1998-05-06 — — EP disclosed
US-5644049-A Biomaterial comprising hyaluronic acid and derivatives thereof in interpenetrating polymer networks (IPN) M.U.R.S.T. ITALIAN MINISTRY FOR UNIVERSITITES AND SCIENTIFIC AND TECHNOLOGY RESEARCH (IT) 1997-07-01 — — US disclosed
Send feedback