SCHEMBL25715751

SCHEMBL25715751

CC12CCC(=O)C=C1CCC1C2CCC2(C)C(CCCC(=O)O)CCC12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.66
CYP3A4 P08684 8/20 0.66
MAPT P10636 6/20 0.66
TSHR P16473 5/20 0.66
HSD17B10 Q99714 4/20 0.66
SHBG P04278 4/20 0.66
SERPINA6 P08185 4/20 0.66
NR3C1 P04150 4/20 0.66
PGR P06401 4/20 0.66
AR P10275 4/20 0.66
MAPK1 P28482 4/20 0.66
GPBAR1 Q8TDU6 3/20 0.66
SIGMAR1 Q99720 3/20 0.66
CYP19A1 P11511 2/20 0.66
SNCA P37840 2/20 0.66
CACNA1C Q13936 2/20 0.66
CYP51A1 Q16850 2/20 0.66
OR51E2 Q9H255 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.62
ALDH1A1 P00352 4/20 0.62

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
SCHEMBL24263947 1.00 LMNA (0.66) LMNACYP3A4MAPTTSHRHSD17B10
SCHEMBL17889171 0.96 LMNA (0.64) LMNACYP3A4MAPTTSHRHSD17B10
SCHEMBL17889180 0.96 LMNA (0.64) LMNACYP3A4MAPTTSHRHSD17B10
SCHEMBL22968559 0.96 LMNA (0.64) LMNACYP3A4MAPTTSHRHSD17B10
SCHEMBL17889178 0.96 LMNA (0.64) LMNACYP3A4MAPTTSHRHSD17B10
SCHEMBL17889172 0.96 LMNA (0.64) LMNACYP3A4MAPTTSHRHSD17B10
SCHEMBL17889179 0.96 LMNA (0.64) LMNACYP3A4MAPTTSHRHSD17B10
SCHEMBL17889173 0.96 LMNA (0.64) LMNACYP3A4MAPTTSHRHSD17B10
SCHEMBL7423109 0.94 CYP3A4 (0.65) LMNACYP3A4MAPTTSHRHSD17B10
SCHEMBL5200681 0.94 CYP3A4 (0.65) LMNACYP3A4MAPTTSHRHSD17B10

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
WO-2023081166-A1 STEREOSELECTIVE STEROIDAL REDUCTIONS SANDHILL ONE, LLC (US) 2023-05-11 WO disclosed