SCHEMBL11580265

SCHEMBL11580265

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CCl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 14/20 0.60
▸ LMNA P02545 4/20 0.60
▸ PGR P06401 3/20 0.60
▸ NR1I2 O75469 2/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ CYP3A4 P08684 6/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ ABCB11 O95342 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ AR P10275 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ USP2 O75604 2/20 0.51
▸ MLNR O43193 1/20 0.51
▸ MAPT P10636 1/20 0.51

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
SCHEMBL11581859 1.00 NR3C1 (0.60) NR3C1LMNAPGRNR1I2HIF1A
SCHEMBL11583987 0.93 NR3C1 (0.67) NR3C1LMNAPGRNR1I2HIF1A
SCHEMBL11583983 0.93 NR3C1 (0.67) NR3C1LMNAPGRNR1I2HIF1A
SCHEMBL11585566 0.90 PGR (0.61) NR3C1LMNAPGRNR1I2HIF1A
SCHEMBL13694732 0.90 NR3C1 (0.58) NR3C1LMNAPGRNR1I2HIF1A
SCHEMBL11585564 0.90 PGR (0.61) NR3C1LMNAPGRNR1I2HIF1A
SCHEMBL11418175 0.89 NR3C1 (0.69) NR3C1LMNAPGRNR1I2HIF1A
SCHEMBL11418169 0.89 NR3C1 (0.69) NR3C1LMNAPGRNR1I2HIF1A
SCHEMBL11586331 0.89 NR3C1 (0.66) NR3C1LMNAPGRNR1I2HIF1A
SCHEMBL11586335 0.89 NR3C1 (0.66) NR3C1LMNAPGRNR1I2HIF1A

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-4113680-A Method for preparing 17 α-ester-21-halo pregnanes TAISHO PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 — — US disclosed
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