SCHEMBL23879752

SCHEMBL23879752

CCC(C)CNC(=O)CCOCCOCCOCCOCCNC(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GLP1R P43220 8/20 0.34
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
TLR2 O60603 3/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
BRD4 O60885 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL25729274 0.89 KMT2A (0.49) KMT2AMEN1GLP1RUSP2TSHR
SCHEMBL23806643 0.89 KMT2A (0.49) KMT2AMEN1GLP1RUSP2TSHR
SCHEMBL21575545 0.87 KMT2A (0.53) KMT2AMEN1GLP1RCA12CA1
SCHEMBL21786694 0.85 KMT2A (0.54) KMT2AMEN1GLP1RTLR2CA12
SCHEMBL24297138 0.84 MEN1 (0.53) KMT2AMEN1GLP1RTSHRTLR2
SCHEMBL25898585 0.81 TLR2 (0.41) KMT2AMEN1TLR2BRD4HRH4
SCHEMBL24913357 0.81 GLP1R (0.43) KMT2AMEN1GLP1RTLR2CYP2D6
SCHEMBL24500907 0.80 KMT2A (0.56) KMT2AMEN1GLP1RTLR2CA12
SCHEMBL18908674 0.79 KMT2A (0.73) KMT2AMEN1USP2TSHRCA2
SCHEMBL18908735 0.79 KMT2A (0.73) KMT2AMEN1USP2TSHRCA2

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-11136565-B2 Modified archaeal family B polymerases Singular Genomics Systems, Inc. (US) 2021-10-05 US disclosed