SCHEMBL8416255

SCHEMBL8416255

O=C1C=C[C@@H]2C3C=CC(C3)C12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 3/20 0.35
USP2 O75604 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13528556 1.00 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL22902314 1.00 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL22902312 1.00 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL8129810 1.00 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL2880061 1.00 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL24894966 1.00 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL14338369 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL6125172 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL13513057 0.72 ALDH1A1 (0.39) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL16283183 0.72 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2ARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925680-A Synthetic excitatory amino acids ELI LILLY AND COMPANY (US) 1999-07-20 US disclosed
US-5925782-A Synthetic excitatory amino acids ELI LILLY AND COMPANY (US) 1999-07-20 US disclosed
US-5750566-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1998-05-12 US disclosed