SCHEMBL8609745

SCHEMBL8609745

C=CCC1(C(=O)OCC)CCC(C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
F10 P00742 2/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RECQL P46063 1/20 0.31
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.31
APOBEC3A P31941 1/20 0.30

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
SCHEMBL1954548 0.84 MEN1 (0.34) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12550107 0.84 KDM4E (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL34476529 0.82 MEN1 (0.34) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12572308 0.82 ALDH1A1 (0.34) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL34475595 0.82 MEN1 (0.34) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL8615805 0.80 MEN1 (0.40) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL1951360 0.79 PPM1D (0.33) MEN1KMT2AF10POLB
SCHEMBL9797061 0.79 MEN1 (0.40) ALDH1A1KDM4EMEN1KMT2AF10
SCHEMBL8607079 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ELMNACYP1A2CYP3A4
SCHEMBL18367198 0.76 TSHR (0.38) ALDH1A1LMNACYP3A4GAACYP2C9

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
US-5849802-A Fungicidal spirocyclic amines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed