SCHEMBL8874229

SCHEMBL8874229

CC=CC[C@H]1Cc2ccc(-c3ccccc3)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.40
NTRK2 Q16620 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
METAP1 P53582 6/20 0.40
TDP2 O95551 1/20 0.40
CYP26A1 O43174 1/20 0.38
ACHE P22303 5/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL8596737 1.00 TYRO3 (0.40) TYRO3NTRK2CLK4DYRK1BMETAP1
SCHEMBL8596739 1.00 TYRO3 (0.40) TYRO3NTRK2CLK4DYRK1BMETAP1
SCHEMBL8873394 0.85 TYRO3 (0.43) TYRO3NTRK2CLK4DYRK1BMETAP1
SCHEMBL8594813 0.85 TYRO3 (0.43) TYRO3NTRK2CLK4DYRK1BMETAP1
SCHEMBL8873256 0.82 METAP1 (0.58) METAP1ACHECYP19A1
SCHEMBL8873267 0.82 METAP1 (0.58) METAP1ACHECYP19A1
SCHEMBL8873261 0.82 METAP1 (0.58) METAP1ACHECYP19A1
SCHEMBL8873299 0.81 METAP1 (0.59) METAP1ACHE
SCHEMBL8595392 0.81 METAP1 (0.59) METAP1ACHE
SCHEMBL8595390 0.81 METAP1 (0.59) METAP1ACHE

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
US-5646173-A ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1997-07-08 US disclosed