SCHEMBL9845558

SCHEMBL9845558

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](c5cccc(OC(=O)O)c5)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.63
OSBP P22059 4/20 0.62
RORC P51449 3/20 0.62
CYP46A1 Q9Y6A2 2/20 0.62
USP2 O75604 2/20 0.62
OSBP2 Q969R2 2/20 0.62
LMNA P02545 1/20 0.62
ABCB1 P08183 1/20 0.62
NR1H3 Q13133 6/20 0.54
EPHA2 P29317 2/20 0.54
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
NPC1L1 Q9UHC9 2/20 0.51
CRYAB P02511 1/20 0.51
HMGCR P04035 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGAV P06756 1/20 0.51
SREBF2 Q12772 1/20 0.51
DHCR24 Q15392 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL9628594 0.91 POLA1 (0.68) POLA1OSBPRORCCYP46A1USP2
Cholesterol SCHEMBL246637 0.86 OSBP (0.79) POLA1OSBPRORCCYP46A1USP2
SCHEMBL2863613 0.82 OSBP (0.63) POLA1OSBPRORCCYP46A1USP2
SCHEMBL2863615 0.82 OSBP (0.63) POLA1OSBPRORCCYP46A1USP2
Cholesterol SCHEMBL21644732 0.82 OSBP (0.78) POLA1OSBPRORCCYP46A1USP2
Cholesterol SCHEMBL21644734 0.82 OSBP (0.78) POLA1OSBPRORCCYP46A1USP2
SCHEMBL10699591 0.82 POLA1 (0.58) POLA1OSBPRORCCYP46A1USP2
SCHEMBL7876330 0.82 POLA1 (0.59) POLA1OSBPRORCCYP46A1USP2
Cholesterol SCHEMBL246634 0.81 OSBP (0.79) POLA1OSBPRORCCYP46A1USP2
SCHEMBL7043798 0.81 OSBP (0.66) POLA1OSBPRORCCYP46A1USP2

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
EP-0430078-A2 Steroids F. HOFFMANN-LA ROCHE AG (CH) 1991-06-05 EP disclosed