SCHEMBL11510780

SCHEMBL11510780

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.63
▸ CYP3A4 P08684 3/20 0.63
▸ NR3C1 P04150 3/20 0.63
▸ PGR P06401 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ NPSR1 Q6W5P4 2/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ HIF1A Q16665 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ MLNR O43193 1/20 0.63
▸ NR1I2 O75469 1/20 0.63
▸ ADORA3 P0DMS8 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ SLC6A3 Q01959 1/20 0.63
▸ PDE4D Q08499 1/20 0.63
▸ PDE3A Q14432 1/20 0.63
▸ AR P10275 3/20 0.61
▸ ABCC4 O15439 1/20 0.61

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
SCHEMBL11510778 1.00 LMNA (0.63) LMNACYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL11511941 0.91 LMNA (0.65) LMNACYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL11511949 0.91 LMNA (0.65) LMNACYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL11511438 0.89 LMNA (0.78) LMNACYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL11511435 0.89 LMNA (0.78) LMNACYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL3973882 0.84 LMNA (0.75) LMNACYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL11515560 0.82 NR3C1 (0.86) LMNACYP3A4NR3C1PGRSMN1; SMN2
Haloprogesterone SCHEMBL139522 0.80 AR (0.64) LMNACYP3A4NR3C1PGRSMN1; SMN2
Haloprogesterone SCHEMBL139523 0.80 AR (0.64) LMNACYP3A4NR3C1PGRSMN1; SMN2
SCHEMBL22749094 0.79 LMNA (0.77) LMNACYP3A4NR3C1PGRSMN1; SMN2

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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