SCHEMBL21343740

SCHEMBL21343740

Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)CO)CC3)CC2=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.35
LPAR1 Q92633 1/20 0.35
CGAS Q8N884 1/20 0.35
SMO Q99835 1/20 0.34
HPGD P15428 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 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
SCHEMBL21343905 0.87 FFAR4 (0.32) MEN1KMT2ASMN1; SMN2FFAR4ALDH1A1
SCHEMBL22992187 0.86 CGAS (0.32) CYP3A4LPAR1CGASALDH1A1CYP1A2
SCHEMBL21343687 0.86 KDM4E (0.39) MEN1KMT2AALDH1A1TSHR
SCHEMBL21361221 0.86 USP2 (0.40) MEN1KMT2ASMN1; SMN2CYP3A4HPGD
SCHEMBL24426540 0.85 MEN1 (0.33) MEN1KMT2ASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL21344722 0.85 HSP90AA1 (0.36) ALDH1A1
SCHEMBL21344745 0.82 FFAR4 (0.32) FFAR4
SCHEMBL21343876 0.82 MGLL (0.33) FFAR4
SCHEMBL21344839 0.80 CNR1 (0.42) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL21344641 0.80 ACACB (0.42) MEN1KMT2A

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-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO disclosed