SCHEMBL11022656

SCHEMBL11022656

CCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C(O)C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.57
▸ CYP3A4 P08684 4/20 0.57
▸ NR3C1 P04150 4/20 0.57
▸ PGR P06401 3/20 0.57
▸ NR3C2 P08235 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ AR P10275 2/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ SHBG P04278 1/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ HRH2 P25021 1/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C2 P52895 1/20 0.57
▸ AKR1C1 Q04828 1/20 0.57
▸ ESR2 Q92731 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
SCHEMBL11020866 0.92 PGR (0.60) LMNACYP3A4NR3C1PGRNR3C2
SCHEMBL3973882 0.84 LMNA (0.75) LMNACYP3A4NR3C1PGRNR3C2
SCHEMBL10703743 0.83 NR3C1 (0.53) LMNACYP3A4NR3C1PGRNR3C2
SCHEMBL10706361 0.82 CYP3A4 (0.56) LMNACYP3A4NR3C1PGRNR3C2
SCHEMBL11511438 0.81 LMNA (0.78) LMNACYP3A4NR3C1PGRNR3C2
SCHEMBL11511435 0.81 LMNA (0.78) LMNACYP3A4NR3C1PGRNR3C2
SCHEMBL8938537 0.79 LMNA (0.54) LMNACYP3A4NR3C1PGRNR3C2
SCHEMBL11702055 0.79 LMNA (0.54) LMNACYP3A4NR3C1PGRNR3C2
SCHEMBL10705558 0.79 NR3C1 (0.52) LMNACYP3A4NR3C1PGRNR3C2
SCHEMBL11021243 0.79 CYP3A4 (0.73) LMNACYP3A4NR3C1PGRNR3C2

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-0054786-B1 6-ALPHA-METHYL HYDROCORTISONE DERIVATIVES, THEIR PREPARATION AND THEIR UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-20 — — EP disclosed
Send feedback