SCHEMBL9566628

SCHEMBL9566628

CCC1(c2ccccc2C)C=CC(N)(c2ccccc2C)C=C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CD44 P16070 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
ELANE P08246 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
SCHEMBL30344393 0.62 HDAC4 (0.43) TDP1CYP3A4CD44TSHRACHE
SCHEMBL28193563 0.61 TSHR (0.39) TDP1TSHRELANE
SCHEMBL16029495 0.60 HDAC4 (0.46)
Hydrochloric Acid SCHEMBL18742513 0.60 CYP3A4 (0.46) TDP1CYP3A4CD44TSHRACHE
SCHEMBL11971962 0.59 HDAC4 (0.44)
SCHEMBL23595680 0.59 HDAC4 (0.41)
SCHEMBL23595664 0.59 HDAC4 (0.41)
O-Xylene SCHEMBL27264239 0.59 TSHR (0.67) TDP1CYP3A4CD44TSHRACHE
SCHEMBL13969511 0.59 HTR2A (0.41)
SCHEMBL5224741 0.58 HDAC4 (0.47)

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-0567395-A2 Electrophotographic photosensitive member, and electrophotographic apparatus and device unit employing the same CANON KABUSHIKI KAISHA (JP) 1993-10-27 EP disclosed