SCHEMBL30559652

SCHEMBL30559652

CC1(C)c2ccccc2-c2cc(O)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.61
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
KMT2A Q03164 1/20 0.41
PRMT1 Q99873 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
FTO Q9C0B1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDK5 Q00535 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
SCHEMBL9937344 1.00 PDK2 (0.61) PDK2MAPTLMNAPOLBALOX12
SCHEMBL29638162 0.88 PDK2 (0.56) PDK2MAPTLMNAPOLBALOX12
SCHEMBL9936511 0.88 PDK2 (0.56) PDK2MAPTLMNAPOLBALOX12
SCHEMBL15845412 0.83 PDK2 (0.65) PDK2MAPTLMNAPOLBALOX12
SCHEMBL27392595 0.83 PDK2 (0.65) PDK2MAPTLMNAPOLBALOX12
SCHEMBL6292675 0.83 PDK2 (0.65) PDK2MAPTLMNAPOLBALOX12
SCHEMBL17789542 0.81 PDK2 (0.43) PDK2MAPTLMNAPOLBALOX12
SCHEMBL5062909 0.81 HTR2A (0.43) PDK2MAPTLMNAMEN1KMT2A
SCHEMBL5014621 0.81 HTR2A (0.43) PDK2MAPTLMNAMEN1KMT2A
SCHEMBL806937 0.80 PDK2 (0.46) PDK2TDP1MLNRNR1I2CHRM2

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
CN-112368277-B Novel compound and organic light emitting device comprising the same 株式会社LG化学 2023-09-05 CN disclosed