SCHEMBL8174993

SCHEMBL8174993

CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4CC(OP(=O)(O)O[C@H]5C[C@H](n6cnc7c(N)ncnc76)O[C@@H]5C)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 2/20 0.50
POLA1 P09884 1/20 0.49
OSBP P22059 3/20 0.46
USP2 O75604 2/20 0.46
RORC P51449 2/20 0.46
LMNA P02545 1/20 0.46
ABCB1 P08183 1/20 0.46
OSBP2 Q969R2 1/20 0.46
GBA1 P04062 2/20 0.44
UGCG Q16739 2/20 0.44
GBA2 Q9HCG7 2/20 0.44
PLA2G2A P14555 1/20 0.43
NR1H3 Q13133 2/20 0.43
NPC1L1 Q9UHC9 4/20 0.42
POLB P06746 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40

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
SCHEMBL8174627 0.85 OSBP (0.47) CYP46A1POLA1OSBPUSP2RORC
SCHEMBL8181517 0.81 OSBP (0.42) CYP46A1POLA1OSBPUSP2RORC
SCHEMBL8915436 0.81 PLA2G2A (0.49) CYP46A1POLA1OSBPUSP2RORC
SCHEMBL8913664 0.80 POLA1 (0.51) CYP46A1POLA1OSBPUSP2RORC
SCHEMBL8914667 0.80 PLA2G2A (0.50) CYP46A1POLA1OSBPUSP2RORC
SCHEMBL8166147 0.80 OSBP (0.42) CYP46A1POLA1OSBPUSP2RORC
SCHEMBL8913660 0.79 POLA1 (0.50) CYP46A1POLA1OSBPUSP2RORC
SCHEMBL8915187 0.79 POLA1 (0.42) CYP46A1POLA1OSBPUSP2RORC
SCHEMBL8914377 0.78 POLA1 (0.49) CYP46A1POLA1OSBPUSP2RORC
SCHEMBL8916630 0.77 POLA1 (0.47) CYP46A1POLA1OSBPUSP2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5795756-A Method and compounds for the inhibition of adenylyl cyclase THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 1998-08-18 US claimed
US-6132957-A CONTACTING A 9-SUBSTITUTED ADENINE WITH A CELL EXTRACT CONTAINING ADENYLATE CYCLASE ACTIVITY, DETECTING THE AMOUNT OF INHIBITION, AND CORRELATING WITH TEST STANDARD OR CONTROL; NOVEL THERAPIES FOR CARDIOVASCULAR DISORDERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2000-10-17 US disclosed
US-5795756-A Method and compounds for the inhibition of adenylyl cyclase THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 1998-08-18 US disclosed