SCHEMBL19906388

SCHEMBL19906388

CCC(C)c1sccc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
RORC P51449 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL19274403 0.82
SCHEMBL4546377 0.80 GABRA1 (0.33) TSHRNPC1
SCHEMBL14544792 0.77 ALOX5 (0.43) TSHRNPC1RAB9A
SCHEMBL22927238 0.75 USP2 (0.39) TSHRRORCNPC1MAPTNFKB1
SCHEMBL22295391 0.75 CXCR1 (0.33) TSHRNPC1MAPTNFKB1RAB9A
SCHEMBL13881107 0.75 TSHR (0.32) TSHRNPC1MAPTNFKB1RAB9A
SCHEMBL7465963 0.75 USP2 (0.39) TSHRRORCNPC1MAPTNFKB1
SCHEMBL19492609 0.74 FAAH (0.30) TSHR
SCHEMBL29006012 0.73 ALOX5 (0.31)
SCHEMBL23424238 0.72 TSHR (0.42) TSHRRORCNPC1MAPTNFKB1

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-2925763-B1 HETEROACENE COMPOUNDS FOR ORGANIC ELECTRONICS BASF SE (DE) 2018-02-28 EP disclosed