SCHEMBL8893095

SCHEMBL8893095

CC[C@H](OCc1ccccc1)[C@H](C)C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39
RCE1 Q9Y256 1/20 0.38
CTSB P07858 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPA1 O75762 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
SCHEMBL9610150 0.85 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL13880492 0.82 TSHR (0.43) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL17170399 0.81 CYP2C9 (0.39) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL17170481 0.81 CYP2C9 (0.39) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL17170474 0.81 CYP2C9 (0.39) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7002707 0.80 RCE1 (0.48) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL22096934 0.80 RCE1 (0.48) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL4854410 0.80 RCE1 (0.48) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL19043738 0.79 MEN1 (0.40) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL5049277 0.79 MEN1 (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681978-A Method for the stereocontrolled synthesis of stegobinone and useful borane intermediates WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-10-28 US claimed
US-5681978-A Method for the stereocontrolled synthesis of stegobinone and useful borane intermediates WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-10-28 US disclosed