SCHEMBL9845110

SCHEMBL9845110

CCNCCc1ccc(OC2CC2)c(OC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE4B Q07343 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9845096 0.94 RECQL (0.50) RECQLSMN1; SMN2HTR1AHTR1DHTR1B
SCHEMBL9845100 0.94 RECQL (0.53) RECQLSMN1; SMN2HTR1AHTR1DHTR1B
SCHEMBL9845120 0.93 RECQL (0.52) RECQLSMN1; SMN2HTR1AHTR1DHTR1B
SCHEMBL9845132 0.90 SIGMAR1 (0.49) RECQLSMN1; SMN2HTR1AHTR1DHTR1B
SCHEMBL9845131 0.84 RECQL (0.52) RECQLSMN1; SMN2HTR1AHTR1DHTR1B
SCHEMBL9845102 0.84 RECQL (0.49) RECQLSMN1; SMN2HTR1AHTR1DHTR1B
SCHEMBL9845125 0.83 RECQL (0.51) RECQLSMN1; SMN2HTR1AHTR1DHTR1B
SCHEMBL9845130 0.81 RECQL (0.45) RECQLPOLBATMMEN1KMT2A
SCHEMBL2847121 0.78 KMT2A (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL9845099 0.77 RECQL (0.47) RECQLPOLBATMMEN1KMT2A

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-0431942-A2 Percutaneously absorbable pharmaceutical preparation containing dopamine derivative SANSHO CO., LTD. (JP) 1991-06-12 EP disclosed