SCHEMBL24711580

SCHEMBL24711580

C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCCCl)CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.66
SHBG P04278 2/20 0.58
SERPINA6 P08185 2/20 0.58
SLC22A1 O15245 1/20 0.58
ALDH1A1 P00352 1/20 0.58
THRB P10828 1/20 0.58
CYP19A1 P11511 2/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PGR P06401 3/20 0.44
NR3C2 P08235 2/20 0.44
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
HDAC3 O15379 1/20 0.41
ESR1 P03372 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4259619 0.91 AR (0.67) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6905409 0.91 AR (0.67) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6836638 0.88 AR (0.71) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL7706417 0.88 AR (0.71) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24711298 0.86 LMNA (0.53) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL4265902 0.86 AR (0.61) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24102607 0.86 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL24102603 0.86 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6841921 0.86 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6241583 0.86 AR (0.74) ARSHBGSERPINA6SLC22A1ALDH1A1

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
WO-2022257895-A1 INTERMEDIATE FOR PREPARING FULVESTRANT AND PREPARATION METHOD THEREFOR 上海弼领生物技术有限公司 2022-12-15 WO disclosed