SCHEMBL28742017

SCHEMBL28742017

CCCCOc1ccc2c(c1)C(=O)c1cccc(OCCCN3CCOCC3)c1-2.CCN(CC)CCOc1cccc2c1-c1c(OC)cccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
CHRNA7 P36544 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 1/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7791807 0.90 ALDH1A1 (0.57) ALDH1A1MAPK1HRH3CYP1A2CHRM2
SCHEMBL27559441 0.88 CYP2D6 (0.52) ALDH1A1MAPK1HRH3CYP1A2CHRM2
SCHEMBL27512822 0.88 MAPK1 (0.49) KMT2AALDH1A1MAPK1HRH3CYP1A2
SCHEMBL7786125 0.86 MAPK1 (0.51) ALDH1A1MAPK1HRH3CYP1A2CHRM2
SCHEMBL27495200 0.85 TSHR (0.45) ALDH1A1HRH3TSHRCYP2D6USP2
SCHEMBL27495577 0.85 ALDH1A1 (0.47) MAPTCHRNA7KMT2AALDH1A1MAPK1
SCHEMBL7792554 0.84 MAPT (0.67) MAPTCHRNA7KMT2AALDH1A1SMN1; SMN2
SCHEMBL27493583 0.84 USP2 (0.45) KMT2AALDH1A1MAPK1HRH3CYP1A2
SCHEMBL7786133 0.83 ALDH1A1 (0.58) MAPTKMT2AALDH1A1MAPK1HRH3
SCHEMBL27512147 0.83 MAPT (0.47) MAPTCHRNA7KMT2A

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
CN-1235969-A Intermediates used in preparing dihydrobenzolfuran derivatives SUMITOMO CHEMICAL CO (JP) 1999-11-24 CN disclosed
CN-1220660-A Alkyloxyamino substituted fluorenones and their use as protein kinase cinhibitors HOECHST MARION ROUSSEL INC (US) 1999-06-23 CN disclosed