SCHEMBL9867937

SCHEMBL9867937

CCCC1(CCC)c2ccccc2-c2ccccc21.CCCC1(CCC)c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.53
PGR P06401 3/20 0.47
PDK2 Q15119 5/20 0.38
CYP2D6 P10635 1/20 0.37
CYP1A2 P05177 2/20 0.36
KCNQ2 O43526 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S100A4 P26447 1/20 0.34

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
SCHEMBL1617518 1.00 APEX1 (0.53) APEX1PGRPDK2CYP2D6CYP1A2
SCHEMBL29370881 1.00 APEX1 (0.53) APEX1PGRPDK2CYP2D6CYP1A2
SCHEMBL9781136 0.89 PGR (0.44) APEX1PGRPDK2CYP2D6CYP1A2
SCHEMBL28480617 0.87 APEX1 (0.47) APEX1PGRPDK2CYP2D6CYP1A2
SCHEMBL17735533 0.87 APEX1 (0.43) APEX1PGRPDK2CYP2D6CYP1A2
SCHEMBL9781137 0.87 APEX1 (0.43) APEX1PGRPDK2
SCHEMBL1394531 0.86 APEX1 (0.50) APEX1PGRPDK2CYP2D6CYP1A2
SCHEMBL30110388 0.86 APEX1 (0.50) APEX1PGRPDK2CYP2D6CYP1A2
SCHEMBL17084381 0.85 APEX1 (0.42) APEX1PGRPDK2
SCHEMBL83466 0.85 APEX1 (0.48) APEX1PGRPDK2CYP2C9KMT2A

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-5037578-A Light source excites dyes solution to generate coherent laser radiation EXCITON CHEMICAL COMPANY (US) 1991-08-06 US disclosed