SCHEMBL31040418

SCHEMBL31040418

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PHF8 Q9UPP1 1/20 0.36
▸ KDM2A Q9Y2K7 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ MC5R P33032 1/20 0.32
▸ MC3R P41968 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 1/20 0.30
▸ ALKBH5 Q6P6C2 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
Hydrochloric Acid SCHEMBL26105045 0.98 KDM4A (0.38) POLBTDP1PHF8KDM2AKDM4A
SCHEMBL31040417 0.94 KDM4C (0.41) POLBTDP1PHF8KDM2AKDM4A
SCHEMBL31040371 0.93 POLB (0.41) POLBTDP1PHF8KDM2AKDM4A
Hydrochloric Acid SCHEMBL26103338 0.91 POLB (0.40) POLBTDP1PHF8KDM2AKDM4A
SCHEMBL31040434 0.86 KDM4C (0.36) PHF8KDM2AKDM4AKDM4CLMNA
Hydrochloric Acid SCHEMBL26102086 0.83 KDM4A (0.35) POLBTDP1PHF8KDM2AKDM4A
SCHEMBL31040387 0.80 GRM4 (0.33) GRM4
Hydrochloric Acid SCHEMBL25353146 0.79 GRM4 (0.32) GRM4
SCHEMBL31040382 0.74 FFAR1 (0.35) TDP1GRM4
SCHEMBL2227903 0.73 LMNA (0.48) TDP1ALDH1A1MEN1CYP1A2THRB

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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