SCHEMBL10652138

SCHEMBL10652138

CCCC1(C)CC(C=O)c2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
PDE4D Q08499 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10653068 0.79 KMT2A (0.41) KCNE1KCNQ1KMT2ALMNATSHR
SCHEMBL10653261 0.78 TRPV1 (0.40) KCNE1KCNQ1KMT2ALMNATSHR
SCHEMBL10653035 0.76 KCNE1 (0.36) KCNE1KCNQ1KMT2ALMNATSHR
SCHEMBL10853611 0.70 SIGMAR1 (0.40) LMNATSHRSMN1; SMN2NPSR1
SCHEMBL23422969 0.69 KMT2A (0.56) KCNE1KCNQ1KMT2ALMNATSHR
SCHEMBL10853606 0.68 MAPK1 (0.41) KCNE1KCNQ1KMT2ALMNASMN1; SMN2
SCHEMBL27837689 0.68 TRPV1 (0.44) CYP3A4
SCHEMBL12086610 0.67 KCNE1 (0.46) KCNE1KCNQ1KMT2ALMNATSHR
SCHEMBL23423111 0.67 KMT2A (0.53) KMT2ALMNATSHRSMN1; SMN2NPSR1
SCHEMBL27581222 0.67 GAA (0.39) KMT2ALMNATSHRSMN1; SMN2NPSR1

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 5 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-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