SCHEMBL7876329

SCHEMBL7876329

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](c5cc([N+](=O)[O-])ccc5OC(=O)Oc5ccc([N+](=O)[O-])cc5[C@H]5CC[C@@]6(C)C(=CC[C@H]7[C@@H]8CC[C@H]([C@H](C)CCCC(C)C)[C@@]8(C)CC[C@@H]76)C5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OSBP P22059 4/20 0.59
RORC P51449 3/20 0.59
CYP46A1 Q9Y6A2 2/20 0.59
USP2 O75604 2/20 0.59
OSBP2 Q969R2 2/20 0.59
LMNA P02545 1/20 0.59
ABCB1 P08183 1/20 0.59
POLA1 P09884 1/20 0.58
NR1H3 Q13133 7/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
EPHA2 P29317 1/20 0.49
NPC1L1 Q9UHC9 4/20 0.49
CRYAB P02511 1/20 0.49
HMGCR P04035 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
SREBF2 Q12772 1/20 0.49
DHCR24 Q15392 1/20 0.48

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
SCHEMBL7876330 0.95 POLA1 (0.59) OSBPRORCCYP46A1USP2OSBP2
SCHEMBL4432535 0.88 OSBP (0.60) OSBPRORCCYP46A1USP2OSBP2
SCHEMBL11324755 0.86 OSBP (0.56) OSBPRORCCYP46A1USP2OSBP2
SCHEMBL2863613 0.83 OSBP (0.63) OSBPRORCCYP46A1USP2OSBP2
SCHEMBL2863615 0.83 OSBP (0.63) OSBPRORCCYP46A1USP2OSBP2
SCHEMBL10699591 0.82 POLA1 (0.58) OSBPRORCCYP46A1USP2OSBP2
SCHEMBL19017228 0.82 CYP46A1 (0.63) OSBPRORCCYP46A1USP2OSBP2
SCHEMBL11324759 0.81 POLA1 (0.56) OSBPRORCCYP46A1USP2OSBP2
SCHEMBL25352991 0.81 POLA1 (0.66) OSBPRORCCYP46A1USP2OSBP2
SCHEMBL8097147 0.81 POLA1 (0.66) OSBPRORCCYP46A1USP2OSBP2

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-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed