SCHEMBL11794803

SCHEMBL11794803

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.74
▸ PGR P06401 3/20 0.74
▸ AR P10275 3/20 0.74
▸ CHRM1 P11229 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ SERPINA6 P08185 2/20 0.74
▸ CYP3A4 P08684 2/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ NR3C1 P04150 4/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ NR3C2 P08235 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ SHBG P04278 1/20 0.59
▸ PMP22 Q01453 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ GAA P10253 1/20 0.57

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
SCHEMBL8013392 1.00 HIF1A (0.74) HIF1APGRARCHRM1LMNA
SCHEMBL8013397 1.00 HIF1A (0.74) HIF1APGRARCHRM1LMNA
SCHEMBL11797812 0.91 HIF1A (0.61) HIF1APGRARCHRM1LMNA
SCHEMBL3649005 0.88 HIF1A (0.72) HIF1APGRARCHRM1LMNA
SCHEMBL10597610 0.88 HIF1A (0.72) HIF1APGRARCHRM1LMNA
SCHEMBL10062395 0.88 HIF1A (0.72) HIF1APGRARCHRM1LMNA
SCHEMBL10597597 0.88 HIF1A (0.72) HIF1APGRARCHRM1LMNA
SCHEMBL147438 0.88 HIF1A (0.72) HIF1APGRARCHRM1LMNA
SCHEMBL9394253 0.88 HIF1A (0.57) HIF1APGRARCHRM1LMNA
SCHEMBL11792996 0.87 HIF1A (0.70) HIF1APGRARCHRM1LMNA

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
US-3956349-A TRIETHYL ORTHOACETATE, ACID CATALYST SYNTEX (U.S.A.) INC. (US) 1976-05-11 — — US disclosed
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