SCHEMBL23696944

SCHEMBL23696944

COc1nc(=O)n([C@H]2CC[C@@H](CO)O2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
ALB P02768 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.33
TSHR P16473 2/20 0.32
TK1 P04183 1/20 0.32
PKM P14618 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8628710 1.00 ABL1 (0.45) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL10438102 0.88 ABL1 (0.43) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL10438070 0.87 ABL1 (0.43) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL5953796 0.82 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL5953793 0.82 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL20633178 0.82 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL14389424 0.82 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL3451324 0.82 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL4284644 0.80 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1
SCHEMBL6507824 0.80 ABL1 (0.47) ABL1RIN1ALBLMNAALDH1A1

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
WO-2021150621-A1 SPACER-MEDIATED CONTROL OF UNCAGING PHOTOCAGED MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-29 WO disclosed