SCHEMBL21784698

SCHEMBL21784698

O=C(O)C(c1ccccc1C1CC1)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RBP4 P02753 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
KCNA5 P22460 2/20 0.36
CYP2C19 P33261 2/20 0.36
KCNH2 Q12809 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
SCHEMBL7798825 0.84 CYP3A4 (0.53) LMNAGAATSHRKDM4EALDH1A1
SCHEMBL21780647 0.80 LMNA (0.43) LMNAGAATSHRKDM4ERBP4
SCHEMBL21785002 0.79 LMNA (0.34) LMNAGAAKDM4EALDH1A1KMT2A
SCHEMBL2549619 0.76 LMNA (0.60) LMNAGAATSHRKDM4EALDH1A1
SCHEMBL303839 0.75 GAA (0.61) LMNAGAATSHRALDH1A1KMT2A
SCHEMBL1829881 0.75 GAA (0.61) LMNAGAATSHRALDH1A1KMT2A
SCHEMBL2547997 0.75 GAA (0.61) LMNAGAATSHRKDM4EALDH1A1
SCHEMBL2227113 0.73 LMNA (0.96) LMNAGAATSHRKDM4EALDH1A1
SCHEMBL628330 0.73 LMNA (0.96) LMNAGAATSHRKDM4EALDH1A1
SCHEMBL27974791 0.73 GAA (0.58) LMNAGAATSHRKDM4EALDH1A1

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
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed