SCHEMBL11511941

SCHEMBL11511941

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.65
▸ NR3C1 P04150 4/20 0.65
▸ AR P10275 4/20 0.65
▸ CYP3A4 P08684 3/20 0.65
▸ PGR P06401 3/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ ABCC4 O15439 1/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ ESR1 P03372 1/20 0.65
▸ SHBG P04278 1/20 0.65
▸ CHRM2 P08172 1/20 0.65
▸ NR3C2 P08235 1/20 0.65
▸ CHRM1 P11229 1/20 0.65
▸ HRH2 P25021 1/20 0.65
▸ AKR1C3 P42330 1/20 0.65
▸ AKR1C2 P52895 1/20 0.65
▸ AKR1C1 Q04828 1/20 0.65
▸ ESR2 Q92731 1/20 0.65

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
SCHEMBL11511949 1.00 LMNA (0.65) LMNANR3C1ARCYP3A4PGR
SCHEMBL11510780 0.91 LMNA (0.63) LMNANR3C1ARCYP3A4PGR
SCHEMBL11510778 0.91 LMNA (0.63) LMNANR3C1ARCYP3A4PGR
SCHEMBL571389 0.83 LMNA (0.77) LMNANR3C1ARCYP3A4PGR
SCHEMBL11511438 0.83 LMNA (0.78) LMNANR3C1ARCYP3A4PGR
SCHEMBL11511435 0.83 LMNA (0.78) LMNANR3C1ARCYP3A4PGR
Haloprogesterone SCHEMBL139522 0.83 AR (0.64) LMNANR3C1ARCYP3A4PGR
Haloprogesterone SCHEMBL139523 0.83 AR (0.64) LMNANR3C1ARCYP3A4PGR
SCHEMBL27048069 0.81 LMNA (0.82) LMNANR3C1ARCYP3A4PGR
SCHEMBL11511329 0.81 CYP3A4 (0.81) LMNANR3C1ARCYP3A4PGR

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-4177269-A ANTITUMOR AGENTS AKTIEBOLAGET LEO (SE) 1979-12-04 — — US disclosed
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