SCHEMBL10716868

SCHEMBL10716868

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.53
NR3C1 P04150 7/20 0.53
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
CYP3A4 P08684 5/20 0.53
AR P10275 5/20 0.53
NPSR1 Q6W5P4 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SHBG P04278 3/20 0.53
ABCB11 O95342 2/20 0.53
CHRM2 P08172 2/20 0.53
CHRM1 P11229 2/20 0.53
USP2 O75604 2/20 0.53
ABCC4 O15439 1/20 0.53
ESR1 P03372 1/20 0.53
NR3C2 P08235 1/20 0.53
HRH2 P25021 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53

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
SCHEMBL5697475 0.93 NR3C1 (0.46) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL8415805 0.90 NR3C1 (0.56) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL8415802 0.90 NR3C1 (0.56) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL2823012 0.88 PGR (0.54) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL4557358 0.83 AR (0.47) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL4557359 0.83 AR (0.47) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL3777671 0.83 LMNA (0.67) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL3777666 0.83 LMNA (0.67) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL13941349 0.82 SMN1; SMN2 (0.74) PGRNR3C1LMNASMN1; SMN2CYP3A4
SCHEMBL260024 0.82 SMN1; SMN2 (0.74) PGRNR3C1LMNASMN1; SMN2CYP3A4

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-0085900-B1 PROCESS FOR THE PREPARATION OF 6-METHYL-DELTA-4,6-3-KETO STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1987-10-28 EP disclosed
US-4440684-A METHOXYMETHYL ACETATE SCHERING AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed