SCHEMBL31040371

SCHEMBL31040371

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PHF8 Q9UPP1 4/20 0.41
▸ KDM2A Q9Y2K7 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ EGLN1 Q9GZT9 2/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ SUCNR1 Q9BXA5 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33

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 SCHEMBL26103338 0.98 POLB (0.40) POLBTDP1PHF8KDM2AALDH1A1
SCHEMBL31040418 0.93 POLB (0.37) POLBTDP1PHF8KDM2AALDH1A1
Hydrochloric Acid SCHEMBL26105045 0.92 KDM4A (0.38) POLBTDP1PHF8KDM2AALDH1A1
SCHEMBL31040417 0.90 KDM4C (0.41) POLBTDP1PHF8KDM2AALDH1A1
Hydrochloric Acid SCHEMBL26102086 0.83 KDM4A (0.35) POLBTDP1PHF8KDM2AKDM4A
SCHEMBL31040434 0.82 KDM4C (0.36) PHF8KDM2AKDM4AKDM4CLMNA
SCHEMBL31040424 0.77 GRM4 (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL1933286 0.74 — —
SCHEMBL14864702 0.73 LMNA (0.44) POLBTDP1PHF8KDM2AALDH1A1
SCHEMBL4799513 0.73 ALDH1A1 (0.59) TDP1PHF8KDM2AALDH1A1MEN1

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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