SCHEMBL4846046

SCHEMBL4846046

Cc1ccccc1CO[C@@H](C)[C@@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
FFAR1 O14842 3/20 0.42
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TACR1 P25103 2/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL10851642 0.85 MAOB (0.44) MAOBFFAR1TAAR1KDM4EADRA2A
SCHEMBL11475385 0.81 KDM4E (0.39) MAOBFFAR1TAAR1KDM4EADRA2A
SCHEMBL12936636 0.80 TAAR1 (0.43) MAOBFFAR1TAAR1KDM4EADRA2A
SCHEMBL13884107 0.80 MAOB (0.37) MAOBFFAR1TAAR1KDM4EADRA2A
SCHEMBL24735105 0.79 TAAR1 (0.40) MAOBFFAR1TAAR1KDM4EADRA2A
SCHEMBL19122453 0.78 KDM4E (0.42) MAOBFFAR1TAAR1KDM4EADRA2A
SCHEMBL608533 0.76 MAOB (0.49) MAOBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL15225880 0.76 MAOB (0.42) MAOBFFAR1TAAR1KDM4EADRA2A
SCHEMBL24858294 0.75 MAOB (0.43) MAOBFFAR1TAAR1KDM4EADRA2A
SCHEMBL15013883 0.75 RCE1 (0.54) ALDH1A1TSHRKMT2ALMNA

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-7432087-B2 Method for preparing (2S, 3R, 4S)-4-hydroxyisoleucine and analogues thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFQUE (FR) 2008-10-07 US disclosed
US-20050079587-A1 Method for preparing (2S, 3R, 4S) -4-hydroxyisoleucine and analogues thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE 2005-04-14 US disclosed
US-20030219880-A1 Method for preparing (2s,3r,4s)-4-hydroxyisoleucine and analogues thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-11-27 US disclosed