SCHEMBL20639350

SCHEMBL20639350

CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CC(=O)OC3c3ccoc3)C12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 10/20 1.00
▸ SLCO1B3 Q9NPD5 8/20 1.00
▸ SLCO1B1 Q9Y6L6 8/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ TP53 P04637 4/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ USP2 O75604 6/20 0.76
▸ MAPT P10636 4/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ HPGD P15428 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ LMNA P02545 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ MIF P14174 1/20 0.58

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
SCHEMBL9973669 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL14197006 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL17616912 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL10019478 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL598727 1.00 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL9973671 0.92 CYP3A4 (0.85) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL10019477 0.87 CYP3A4 (0.77) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
SCHEMBL9973651 0.87 CYP3A4 (0.77) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
Azadiradione SCHEMBL19588462 0.87 CYP3A4 (0.77) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53
Azadiradione SCHEMBL29398035 0.87 CYP3A4 (0.77) CYP3A4SLCO1B3SLCO1B1SMN1; SMN2TP53

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
US-20190015423-A1 REGULATION OF GENE EXPRESSION BY MODULATING PRIMARY CILIA LENGTH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 — — US claimed
US-20190015423-A1 REGULATION OF GENE EXPRESSION BY MODULATING PRIMARY CILIA LENGTH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 — — US disclosed
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