SCHEMBL10693913

SCHEMBL10693913

CC(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)[N+](C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.49
LMNA P02545 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PAM P19021 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPG P10696 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PYGL P06737 4/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL7442013 0.86 CTRB1 (0.55) CTRB1LMNACTSSCTSKPAM
SCHEMBL7434134 0.86 CTRB1 (0.55) CTRB1LMNACTSSCTSKPAM
SCHEMBL14570232 0.83 CTRB1 (0.55) CTRB1LMNACTSSCTSKPAM
SCHEMBL7270681 0.80 CTRB1 (0.58) CTRB1LMNACTSSCTSKPAM
SCHEMBL7438864 0.78 ACACB (0.56) CTRB1
SCHEMBL24078873 0.77 CTRB1 (0.58) CTRB1LMNACTSSCTSKPAM
SCHEMBL14866005 0.76 CTRB1 (0.54) CTRB1LMNACTSSCTSKPAM
SCHEMBL19954666 0.76 CTRB1 (0.54) CTRB1LMNACTSSCTSKPAM
SCHEMBL14865952 0.75 CTRB1 (0.53) CTRB1LMNACTSSCTSKPAM
SCHEMBL7436643 0.75 SLC7A5 (0.51) CTRB1

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
EP-0283260-A1 Immunomodulators and method of making same BIOMEASURE, INC. (US) 1988-09-21 EP disclosed