SCHEMBL20058563

SCHEMBL20058563

CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(O)CCC12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.76
▸ NR3C2 P08235 4/20 0.76
▸ HSD11B2 P80365 3/20 0.76
▸ HSD11B1 P28845 2/20 0.76
▸ HIF1A Q16665 7/20 0.72
▸ LMNA P02545 6/20 0.72
▸ HSD17B10 Q99714 6/20 0.72
▸ SHBG P04278 5/20 0.72
▸ SERPINA6 P08185 5/20 0.72
▸ CYP3A4 P08684 4/20 0.72
▸ TSHR P16473 3/20 0.72
▸ SIGMAR1 Q99720 3/20 0.72
▸ MAPT P10636 3/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ NFKB1 P19838 2/20 0.72
▸ BLM P54132 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ SLC22A2 O15244 1/20 0.72
▸ SLC22A1 O15245 1/20 0.72
▸ SLC22A3 O75751 1/20 0.72

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
SCHEMBL13752954 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A
SCHEMBL10185506 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A
SCHEMBL15920491 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A
SCHEMBL3362406 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A
SCHEMBL619054 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A
SCHEMBL24900243 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A
SCHEMBL14525631 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A
SCHEMBL20058468 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A
SCHEMBL619055 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A
SCHEMBL3235812 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NR3C2HSD11B2HSD11B1HIF1A

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
EP-3865501-A1 NEW INTERMEDIATES FOR THE PREPARATION OF 11-METHYLENE STEROIDS Crystal Pharma, S.A.U. (ES) 2021-08-18 — — EP disclosed
EP-3309166-A2 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION Sphaera Pharma Pvt. Ltd. (IN) 2018-04-18 — — EP disclosed
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