SCHEMBL21338024

SCHEMBL21338024

C1=CC(c2ccccc2-c2ccccc2)=CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 1/20 0.35
BCAT2 O15382 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
PTGS2 P35354 1/20 0.33
MGLL Q99685 1/20 0.32
DPP4 P27487 1/20 0.32
BACE1 P56817 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL25517263 0.85 NOTUM (0.38) ALDH1A1HSD17B10MAPK1CHRNB2
SCHEMBL18900385 0.83 NPC1 (0.44) ALDH1A1HPGDMAPK1PTGS2GPR55
SCHEMBL25735639 0.83 LMNA (0.30)
SCHEMBL3807753 0.83 ALDH1A1 (0.36) ALDH1A1
SCHEMBL17887174 0.82
SCHEMBL13979515 0.82 PLA2G2A (0.35) ALDH1A1HPGDDPP4
SCHEMBL13645499 0.81 ALOX5 (0.30)
SCHEMBL19393512 0.81 KDM4E (0.30) ALDH1A1TDP1
SCHEMBL22893131 0.80 GPR55 (0.38) ALDH1A1HPGDMAPK1NISCHPTGS2
SCHEMBL25724047 0.80 MGLL (0.32) ALDH1A1HSD17B10HPGDBCL2L1BCAT2

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
EP-2966146-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-09-11 EP disclosed