SCHEMBL9856882

SCHEMBL9856882

C=C(C)COCCn1ccnc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
FDPS P14324 1/20 0.38
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
P2RX7 Q99572 1/20 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
SCHEMBL8678546 0.83 KMT2A (0.60) ALDH1A1KMT2APOLBTSHRKDM4E
Hydrochloric Acid SCHEMBL9459558 0.80 ALDH1A1 (0.47) ALDH1A1KMT2APOLBTSHRKDM4E
SCHEMBL5438077 0.78 ALDH1A1 (0.59) ALDH1A1KMT2APOLBTSHRKDM4E
SCHEMBL8138464 0.77 ALDH1A1 (0.46) ALDH1A1KMT2APOLBTSHRKDM4E
SCHEMBL19794294 0.77 ALDH1A1 (0.62) ALDH1A1KMT2APOLBTSHRKDM4E
SCHEMBL11145179 0.76 ALDH1A1 (0.56) ALDH1A1KMT2APOLBTSHRKDM4E
SCHEMBL18010008 0.76 KMT2A (0.51) ALDH1A1KMT2APOLBTSHRKDM4E
SCHEMBL754722 0.74 KMT2A (0.58) ALDH1A1KMT2APOLBTSHRKDM4E
SCHEMBL13587959 0.74 ALDH1A1 (0.50) ALDH1A1KMT2APOLBTSHRKDM4E
SCHEMBL4779659 0.73 ALDH1A1 (0.72) ALDH1A1KMT2APOLBTSHRKDM4E

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-0407800-A2 Analysis method for determining substances from biological fluids MILES INC. (US) 1991-01-16 EP disclosed