SCHEMBL22004444

SCHEMBL22004444

BrCc1ccc(C2=CCC(c3ccccc3)C=C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KDM1A O60341 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
SCHEMBL28675583 0.84 RECQL (0.31) TSHRKDM1A
SCHEMBL19797512 0.77 GPR88 (0.31) ALDH1A1KDM1A
SCHEMBL22004480 0.76 MAOB (0.42) ALDH1A1KDM1A
SCHEMBL26901621 0.75 KDM4E (0.33) ALDH1A1
SCHEMBL18790851 0.75 KDM4E (0.33) ALDH1A1
SCHEMBL20859799 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL20564187 0.74 RECQL (0.33) TRPA1ALDH1A1TSHR
SCHEMBL15079159 0.74 MAOA (0.36) KDM1A
SCHEMBL18872866 0.73 HSD17B10 (0.34) ALDH1A1TSHRKDM1A
SCHEMBL24907909 0.73 NPC1 (0.32)

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-3653575-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM Corporation (JP) 2020-05-20 EP disclosed