SCHEMBL7876330

SCHEMBL7876330

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(c5cc([N+](=O)[O-])ccc5OC(=O)O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.59
OSBP P22059 4/20 0.58
RORC P51449 3/20 0.58
CYP46A1 Q9Y6A2 2/20 0.58
USP2 O75604 2/20 0.58
OSBP2 Q969R2 2/20 0.58
LMNA P02545 1/20 0.58
ABCB1 P08183 1/20 0.58
NR1H3 Q13133 7/20 0.51
EPHA2 P29317 1/20 0.51
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
NPC1L1 Q9UHC9 4/20 0.48
CRYAB P02511 1/20 0.48
HMGCR P04035 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
SREBF2 Q12772 1/20 0.48
DHCR24 Q15392 1/20 0.47

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
SCHEMBL7876329 0.95 OSBP (0.59) POLA1OSBPRORCCYP46A1USP2
SCHEMBL4432535 0.89 OSBP (0.60) POLA1OSBPRORCCYP46A1USP2
SCHEMBL10699591 0.88 POLA1 (0.58) POLA1OSBPRORCCYP46A1USP2
SCHEMBL11324759 0.86 POLA1 (0.56) POLA1OSBPRORCCYP46A1USP2
Cholesterol SCHEMBL25352993 0.83 OSBP (0.72) POLA1OSBPRORCCYP46A1USP2
SCHEMBL2863615 0.82 OSBP (0.63) POLA1OSBPRORCCYP46A1USP2
SCHEMBL2863613 0.82 OSBP (0.63) POLA1OSBPRORCCYP46A1USP2
SCHEMBL10487224 0.82 POLA1 (0.61) POLA1OSBPRORCCYP46A1USP2
SCHEMBL10487222 0.82 POLA1 (0.61) POLA1OSBPRORCCYP46A1USP2
SCHEMBL9845558 0.82 POLA1 (0.63) 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 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