SCHEMBL12345028

SCHEMBL12345028

Bc1cccc2c(C(=O)OC)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CFTR P13569 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BRD4 O60885 2/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
PSMD14 O00487 1/20 0.46
NR4A2 P43354 4/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CREBBP Q92793 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL70429 0.90 LMNA (0.59) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL8115762 0.84 TSHR (0.63) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL3230050 0.82 NR4A2 (0.53) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL29434198 0.81 BRD4 (0.59) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL70381 0.81 BRD4 (0.59) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL23909597 0.81 ALDH1A1 (0.53) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL3207564 0.81 NR4A2 (0.58) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL9300933 0.81 LMNA (0.66) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL29197395 0.81 LMNA (0.50) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL23909537 0.81 LMNA (0.50) LMNATSHRALDH1A1CFTRHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305769-B1 Emitting material and organic light emitting diode using the same LG CHEMICAL LTD (KR) 2012-09-19 EP disclosed
WO-2007058503-A1 EMITTING MATERIAL AND ORGANIC LIGHT EMITTING DIODE USING THE SAME LG CHEM. LTD. (KR) 2007-05-24 WO disclosed