SCHEMBL23199812

SCHEMBL23199812

O=C(CCN1CCOCC1)Oc1ccc2c(ccc3c4c(ccc32)C=CC4)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
THRA P10827 1/20 0.35
EGFR P00533 1/20 0.35

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
Hydrochloric Acid SCHEMBL23199806 0.89 SMN1; SMN2 (0.40) SMN1; SMN2TSHRL3MBTL1ALDH1A1KMT2A
SCHEMBL12467986 0.86 ACHE (0.47) MAPK1ALDH1A1CYP1A2MAPTLMNA
SCHEMBL23199818 0.81 HTR1A (0.35) SMN1; SMN2MAOAMAOBL3MBTL1ALDH1A1
SCHEMBL9938547 0.79 KDM4E (0.40) SMN1; SMN2MAOAMAPK1L3MBTL1ALDH1A1
SCHEMBL30645497 0.78 KMT2A (0.42) SMN1; SMN2MAPK1ALDH1A1KMT2AMEN1
SCHEMBL30846904 0.77 GLA (0.39) L3MBTL1ALDH1A1KMT2A
SCHEMBL30352755 0.76 PDGFRB (0.35) SMN1; SMN2MAOAALDH1A1KMT2ACYP1A2
SCHEMBL9938199 0.76 PDGFRB (0.41) MAOAL3MBTL1ALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL23199823 0.75 PDGFRB (0.40) MAOAL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL996026 0.75 CA12 (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT

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-3801553-A2 PRODRUGS OF FULVESTRANT Kashiv Biosciences, LLC (US) 2021-04-14 EP disclosed