SCHEMBL9618055

SCHEMBL9618055

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CCC(O)[C@@]45C[C@@]35CC[C@]12C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRYAB P02511 5/20 0.46
▸ CRYAA P02489 1/20 0.46
▸ ACLY P53396 2/20 0.46
▸ ACACA Q13085 2/20 0.46
▸ HSD11B1 P28845 1/20 0.42
▸ HSD11B2 P80365 1/20 0.42
▸ NPC1L1 Q9UHC9 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ EBP Q15125 2/20 0.38
▸ VDR P11473 4/20 0.36
▸ OSBP P22059 1/20 0.36
▸ OSBP2 Q969R2 1/20 0.36
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35

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
SCHEMBL17599781 0.87 HSD11B1 (0.56) ACLYACACAHSD11B1HSD11B2PTPN11
SCHEMBL1878450 0.87 HSD11B1 (0.56) ACLYACACAHSD11B1HSD11B2PTPN11
SCHEMBL1874653 0.84 ACLY (0.48) ACLYACACAHSD11B1HSD11B2PTPN11
SCHEMBL16411312 0.82 ACLY (0.61) CRYABACLYACACAHSD11B1HSD11B2
SCHEMBL568813 0.81 HSD11B1 (0.50) ACLYACACAHSD11B1HSD11B2PTPN11
SCHEMBL8148952 0.73 EBP (0.48) ACLYACACAHSD11B1PTPN11EBP
Cycloartanol SCHEMBL13801860 0.72 ACLY (0.67) CRYABCRYAAACLYACACAHSD11B1
Cycloartanol SCHEMBL12152356 0.72 ACLY (0.67) CRYABCRYAAACLYACACAHSD11B1
Cycloartanol SCHEMBL1881616 0.72 ACLY (0.67) CRYABCRYAAACLYACACAHSD11B1
Cycloartanol SCHEMBL1881613 0.72 ACLY (0.67) CRYABCRYAAACLYACACAHSD11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2032022-A — — None — — JP disclosed
JP-4082833-A — — None — — JP disclosed
JP-H0482833-A LIPID MICROSPHERE PREPARATION CONTAINING STEROID COMPOUND SAITO SHOJI 1992-03-16 — — JP disclosed
JP-H0232022-A CEREBRAL FUNCTION ACTIVATOR CONTAINING STEROID COMPOUND SAITO SHOJI 1990-02-01 — — JP disclosed
Send feedback