SCHEMBL8964786

SCHEMBL8964786

CCCC1(CCC)c2ccccc2-c2cc([N+](=O)[O-])c(O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.39
PGR P06401 2/20 0.38
MAPK1 P28482 4/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.36
STAT6 P42226 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
MAPT P10636 3/20 0.36
CASP6 P55212 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35

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
SCHEMBL17443143 0.79 MAPK1 (0.44) APEX1MAPK1HSD17B10ALOX15L3MBTL1
SCHEMBL12095383 0.79 PTPRC (0.45) APEX1PGRALDH1A1CYP1A2CYP3A4
SCHEMBL3291279 0.77 APEX1 (0.41) APEX1PGRHSD17B10ALOX15ALDH1A1
SCHEMBL28826501 0.74 ALDH1A1 (0.36) PGRMAPK1HSD17B10ALDH1A1TP53
SCHEMBL28826509 0.74 HSP90AA1 (0.45) PGRMAPK1HSD17B10ALOX15ALDH1A1
SCHEMBL1617518 0.73 APEX1 (0.53) APEX1PGRMAPK1HSD17B10ALOX15
SCHEMBL29370881 0.73 APEX1 (0.53) APEX1PGRMAPK1HSD17B10ALOX15
SCHEMBL9867937 0.73 APEX1 (0.53) APEX1PGRMAPK1HSD17B10ALOX15
SCHEMBL8965214 0.73 PDK2 (0.49) APEX1PGRMAPTPOLBESR2
SCHEMBL28482217 0.73 TSHR (0.39) APEX1PGRMAPK1HSD17B10L3MBTL1

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
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed