SCHEMBL31040417

SCHEMBL31040417

CC(C)(N)CCCCCCCN(CCC(C)(C)N)C(=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 15/20 0.41
▸ KDM4A O75164 12/20 0.41
▸ TDP1 Q9NUW8 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PHF8 Q9UPP1 4/20 0.34
▸ KDM2A Q9Y2K7 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ CPT2 P23786 1/20 0.34
▸ KDM5A P29375 4/20 0.34
▸ KDM7A Q6ZMT4 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL31040418 0.94 POLB (0.37) KDM4CKDM4ATDP1POLBPHF8
SCHEMBL31040434 0.92 KDM4C (0.36) KDM4CKDM4APHF8KDM2AKDM5A
Hydrochloric Acid SCHEMBL26105045 0.92 KDM4A (0.38) KDM4CKDM4ATDP1POLBPHF8
SCHEMBL31040371 0.90 POLB (0.41) KDM4CKDM4ATDP1POLBPHF8
Hydrochloric Acid SCHEMBL26103338 0.89 POLB (0.40) KDM4CKDM4ATDP1POLBPHF8
Hydrochloric Acid SCHEMBL26102086 0.83 KDM4A (0.35) KDM4CKDM4ATDP1POLBPHF8
SCHEMBL31040382 0.82 FFAR1 (0.35) TDP1FFAR1CPT2
Hydrochloric Acid SCHEMBL25352359 0.80 FFAR1 (0.34) TDP1FFAR1CPT2
Sebacic Acid SCHEMBL10542742 0.75 TSHR (0.55) TDP1FFAR1CPT2MEN1ALDH1A1
SCHEMBL8643046 0.74 GPR84 (0.56) KDM4CTDP1PHF8FFAR1KDM5A

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
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