SCHEMBL10652491

SCHEMBL10652491

COc1ccc2c(c1)OC(C)(C)CC2CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2B P41595 4/20 0.40
HTR1A P08908 4/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR2A P28223 4/20 0.40
ABCB1 P08183 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2C P28335 3/20 0.37
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36

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
SCHEMBL10593584 0.82 KDM4E (0.42) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL10585988 0.82 KDM4E (0.53) KDM4EALDH1A1TSHRLMNAGAA
SCHEMBL3578838 0.81 MAPT (0.47) MAPTKDM4EMEN1KMT2AHTR2B
SCHEMBL25659982 0.80 MAPT (0.45) MAPTKDM4EMEN1KMT2AHTR2B
SCHEMBL31260267 0.78 MAPT (0.47) MAPTKDM4EMEN1KMT2AHTR2B
SCHEMBL30839494 0.77 CYP3A4 (0.48) MAPTMEN1KMT2AHTR1AHTR2A
SCHEMBL9627802 0.77 CYP3A4 (0.48) MAPTMEN1KMT2AHTR1AHTR2A
SCHEMBL7913673 0.76 HTR2A (0.39) KMT2AHTR2BHTR2AHTTTSHR
SCHEMBL10650802 0.76 MAPT (0.43) MAPTKDM4EMEN1KMT2AHTR2B
SCHEMBL23423059 0.75 KMT2A (0.44) MAPTKDM4EMEN1KMT2AABCB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157267-B1 SUBSTITUTED BENZOPYRANS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1988-11-23 EP disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0157267-A2 Substituted benzopyrans, process for their preparation and their use in medicines BAYER AG (DE) 1985-10-09 EP disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed