SCHEMBL23729445

SCHEMBL23729445

CNCCOCCOCCC(=O)NCCCCI

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CASP2 P42575 1/20 0.39
NAAA Q02083 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.34
GLP1R P43220 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL21842320 0.84 KDM4E (0.50) TSHRCASP2NAAAMEN1KMT2A
SCHEMBL25678313 0.84 CASP2 (0.49) TSHRCASP2NAAAGLP1R
SCHEMBL22623296 0.81 DNM1 (0.48) TSHRCASP2GLP1R
SCHEMBL24813893 0.80 TSHR (0.40) TSHRCASP2NAAAMEN1KMT2A
SCHEMBL29299619 0.80 HPGD (0.42) TSHRCASP2MEN1KMT2AGLP1R
SCHEMBL25791250 0.79 TSHR (0.39) TSHRCASP2MEN1KMT2AGLP1R
SCHEMBL25029765 0.79 ECE1 (0.43) TSHRMEN1KMT2ASMN1; SMN2CA12
SCHEMBL21311636 0.79 TSHR (0.49) TSHRMEN1KMT2ASMN1; SMN2CA12
SCHEMBL23169072 0.79 TSHR (0.49) TSHRMEN1KMT2ASMN1; SMN2CA12
SCHEMBL20353103 0.79 MEN1 (0.41) TSHRCASP2NAAAMEN1KMT2A

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-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed