SCHEMBL20121806

SCHEMBL20121806

Cc1ccc2c(c1)C1(c3ccccc3-2)c2cc(C)ccc2-c2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.49
AKR1A1 P14550 2/20 0.44
AKR1B1 P15121 2/20 0.44
S100A4 P26447 1/20 0.42
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ELANE P08246 1/20 0.39
GPR3 P46089 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL22797700 0.91 PDK2 (0.42) PDK2AKR1A1AKR1B1S100A4ESR1
SCHEMBL19977174 0.91 PDK2 (0.46) PDK2AKR1A1AKR1B1S100A4
SCHEMBL21038431 0.90 PDK2 (0.43) PDK2AKR1A1AKR1B1S100A4LMNA
SCHEMBL19013527 0.89 PDK2 (0.58) PDK2ESR1ESR2ELANELMNA
SCHEMBL18880905 0.89 PDK2 (0.58) PDK2ESR1ESR2ELANELMNA
SCHEMBL19147675 0.89 PDK2 (0.58) PDK2AKR1A1AKR1B1S100A4ESR1
SCHEMBL7619444 0.89 PDK2 (0.58) PDK2ESR1ESR2ELANELMNA
SCHEMBL30004202 0.89 PDK2 (0.58) PDK2ESR1ESR2ELANELMNA
SCHEMBL17816711 0.87 PDK2 (0.56) PDK2AKR1A1AKR1B1S100A4ESR1
SCHEMBL22797329 0.87 PARP1 (0.41) PDK2AKR1A1AKR1B1

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-20230363260-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-09 US disclosed
US-11730053-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-15 US disclosed
US-9966535-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-08 US disclosed