SCHEMBL25819424

SCHEMBL25819424

CC(C)CC(C(=O)O)n1cc(CCN2CCCOCC2)c(C(F)(F)F)cc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
AVPR1B P47901 3/20 0.35
PTGES O14684 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RX7 Q99572 2/20 0.33
CCR2 P41597 1/20 0.33
NTRK1 P04629 1/20 0.33
ACKR3 P25106 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL23248918 0.91 OPRK1 (0.33) POLBALDH1A1SMN1; SMN2
SCHEMBL23256173 0.90 OPRK1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2AVPR1B
SCHEMBL23250150 0.85 OPRK1 (0.32) POLBALDH1A1AVPR1B
SCHEMBL23256342 0.84 TERT (0.31) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29863481 0.84 OPRK1 (0.32) ALDH1A1
SCHEMBL23255954 0.83 OPRK1 (0.31) POLBALDH1A1
SCHEMBL24555664 0.82 LNPEP (0.32) MEN1KMT2AALDH1A1SMN1; SMN2AVPR1B
SCHEMBL31629365 0.82 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL23256585 0.82 MEN1 (0.33) POLBMEN1KMT2ASMN1; SMN2CNR2
SCHEMBL23256514 0.82 EPHX2 (0.33) POLBSMN1; SMN2AVPR1B

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
WO-2023125182-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF 海思科医药集团股份有限公司 2023-07-06 WO disclosed