SCHEMBL18490803

SCHEMBL18490803

BrC1=CC(c2ccccc2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
HTR2C P28335 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL22541705 0.82 L3MBTL1 (0.40) ALDH1A1MAPK1
SCHEMBL24672037 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1SIGMAR1HTR2C
SCHEMBL12068092 0.77 MEN1 (0.45) ALDH1A1MAPK1
SCHEMBL29809911 0.75 CYP1A2 (0.34) ALDH1A1SIGMAR1HTR2C
SCHEMBL12993025 0.75 HSD17B10 (0.34) ALDH1A1SIGMAR1HTR2C
SCHEMBL20960229 0.72 KDM4E (0.43) ALDH1A1MAPK1
SCHEMBL21092321 0.71 KIF11 (0.36) ALDH1A1BACE1
SCHEMBL24521353 0.71
SCHEMBL18901014 0.71 TAAR1 (0.36)
SCHEMBL24891096 0.68

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
WO-2017023126-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 2017-02-09 WO disclosed