SCHEMBL5593008

SCHEMBL5593008

CCOC(=O)[C@]12CCCC1O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
GRM1 Q13255 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL14968337 1.00 POLB (0.38) POLBMEN1KMT2ASMN1; SMN2ATM
SCHEMBL9656283 0.95 POLB (0.37) POLBMEN1KMT2ASMN1; SMN2ATM
SCHEMBL7697029 0.93 ALDH1A1 (0.38) POLBMEN1KMT2ASMN1; SMN2ATM
SCHEMBL14967907 0.93 ALDH1A1 (0.38) POLBMEN1KMT2ASMN1; SMN2ATM
SCHEMBL14968098 0.87 PPM1B (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL14968001 0.84 LMNA (0.38) POLBMEN1KMT2ASMN1; SMN2ATM
SCHEMBL14967690 0.83 PRKCA (0.39) POLBSMN1; SMN2TSHRGAAMAPK1
SCHEMBL14967438 0.82 CYP3A4 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL14967974 0.82 PRKCA (0.40) SMN1; SMN2TSHRGAAMAPK1
SCHEMBL14967412 0.81 CYP3A4 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR

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-2007072506-A2 POLYMORPHIC FORMS OF DOLASETRON MESYLATE AND PROCESSES THEREOF USV LIMITED (IN) 2007-06-28 WO disclosed