SCHEMBL22344765

SCHEMBL22344765

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 4/20 0.64
CYP1A2 P05177 3/20 0.64
GMNN O75496 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
TP53 P04637 3/20 0.64
TSHR P16473 3/20 0.64
HSP90AA1 P07900 2/20 0.64
BLM P54132 2/20 0.64
NR1H4 Q96RI1 2/20 0.64
CYP2C9 P11712 2/20 0.64
HIF1A Q16665 2/20 0.64
GLA P06280 1/20 0.62
PMP22 Q01453 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.50
SLC25A20 O43772 3/20 0.48
CYP2D6 P10635 2/20 0.48

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
SCHEMBL27620618 1.00 MAPK1 (0.64) MAPK1LMNAMAPTCYP1A2GMNN
SCHEMBL28710263 1.00 MAPK1 (0.64) MAPK1LMNAMAPTCYP1A2GMNN
SCHEMBL27599781 1.00 MAPK1 (0.64) MAPK1LMNAMAPTCYP1A2GMNN
SCHEMBL27643142 1.00 MAPK1 (0.64) MAPK1LMNAMAPTCYP1A2GMNN
SCHEMBL28811437 1.00 MAPK1 (0.64) MAPK1LMNAMAPTCYP1A2GMNN
SCHEMBL28666910 1.00 MAPK1 (0.64) MAPK1LMNAMAPTCYP1A2GMNN
SCHEMBL25187656 1.00 MAPK1 (0.64) MAPK1LMNAMAPTCYP1A2GMNN
SCHEMBL27850775 1.00 MAPK1 (0.64) MAPK1LMNAMAPTCYP1A2GMNN
SCHEMBL28519362 1.00 MAPK1 (0.64) MAPK1LMNAMAPTCYP1A2GMNN
Hydrochloric Acid SCHEMBL8816077 0.98 MAPK1 (0.65) MAPK1LMNAMAPTCYP1A2GMNN

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-11622948-B2 Biomarkers for efficacy of prophylactic treatments against stress-induced affective disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-04-11 US disclosed
US-20200261379-A1 BIOMARKERS FOR EFFICACY OF PROPHYLACTIC TREATMENTS AGAINST STRESS-INDUCED AFFECTIVE DISORDERS BPG BIO, INC. 2020-08-20 US disclosed