SCHEMBL11794558

SCHEMBL11794558

C[C@@H]1C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ PGR P06401 4/20 0.56
▸ AR P10275 2/20 0.56
▸ NR3C1 P04150 6/20 0.54
▸ HIF1A Q16665 9/20 0.53
▸ CYP3A4 P08684 6/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ ABCB11 O95342 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HSD17B10 Q99714 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ NR3C2 P08235 3/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ SHBG P04278 1/20 0.50
▸ SERPINA6 P08185 1/20 0.50
▸ LMNA P02545 2/20 0.47

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
SCHEMBL11794572 1.00 KMT2A (0.60) KMT2APGRARNR3C1HIF1A
SCHEMBL10891069 0.91 HIF1A (0.64) KMT2APGRARNR3C1HIF1A
SCHEMBL20709783 0.91 HIF1A (0.64) KMT2APGRARNR3C1HIF1A
SCHEMBL10891061 0.91 HIF1A (0.64) KMT2APGRARNR3C1HIF1A
SCHEMBL10427927 0.91 HIF1A (0.64) KMT2APGRARNR3C1HIF1A
SCHEMBL11311611 0.89 PGR (0.68) KMT2APGRARNR3C1HIF1A
SCHEMBL11313619 0.89 PGR (0.68) KMT2APGRARNR3C1HIF1A
SCHEMBL11311598 0.89 PGR (0.68) KMT2APGRARNR3C1HIF1A
SCHEMBL11797316 0.89 ABCB11 (0.59) KMT2APGRARNR3C1HIF1A
SCHEMBL11797325 0.85 HIF1A (0.48) KMT2APGRARNR3C1HIF1A

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
Send feedback