SCHEMBL31040441

SCHEMBL31040441

CCCCCC(=O)N(CCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.55
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
DRD2 P14416 3/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
DNM1 Q05193 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX1 P07099 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38

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
SCHEMBL18865536 0.92 TDP1 (0.55) CA14TDP1MEN1KMT2AGAA
SCHEMBL18865529 0.92 TDP1 (0.55) CA14TDP1MEN1KMT2AGAA
SCHEMBL18865427 0.92 TDP1 (0.55) CA14TDP1MEN1KMT2AGAA
SCHEMBL25628397 0.92 CA14 (0.63) CA14TDP1MEN1KMT2AGAA
SCHEMBL25196839 0.91 TDP1 (0.54) CA14TDP1MEN1KMT2AGAA
SCHEMBL26100180 0.90 CA14 (0.55) CA14TDP1MEN1KMT2AGAA
SCHEMBL25914516 0.90 TDP1 (0.50) CA14TDP1MEN1KMT2AGAA
SCHEMBL25913350 0.90 TDP1 (0.50) CA14TDP1MEN1KMT2AGAA
SCHEMBL8358630 0.90 TDP1 (0.52) CA14TDP1MEN1KMT2AGAA
SCHEMBL14439576 0.90 CA14 (0.60) CA14TDP1MEN1KMT2AGAA

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
CN-118510788-A Liposoamines 摩登纳特斯有限公司 2024-08-16 CN disclosed