SCHEMBL8074244

SCHEMBL8074244

CCc1ccc(-c2[c]cccc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
TP53 P04637 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EGFR P00533 1/20 0.33
GRIA4 P48058 1/20 0.33
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.32
METAP2 P50579 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 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
SCHEMBL8077707 0.86 NPC1 (0.38) TP53TAAR1NPC1GAARAB9A
SCHEMBL27469382 0.81
SCHEMBL2722296 0.80 EGFR (0.38) TP53TAAR1NPC1GAARAB9A
SCHEMBL8089782 0.80 TP53 (0.37) TP53TAAR1NPC1GAARAB9A
SCHEMBL150096 0.79 MAOB (0.32) NPC1RAB9A
SCHEMBL8072413 0.78 ESR1 (0.31)
SCHEMBL3607306 0.77 ALDH1A1 (0.35) NPC1RAB9AL3MBTL1
SCHEMBL8089555 0.76 NPC1 (0.38) FAAHTP53NPC1GAARAB9A
SCHEMBL1491042 0.76 ALDH1A1 (0.38) LMNANPC1GAARAB9AHTT
SCHEMBL435279 0.76 CYP1A2 (0.38) TP53LMNANPC1RAB9ANOTUM

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-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed