SCHEMBL31040382

SCHEMBL31040382

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ARG1 P05089 3/20 0.33
▸ ARG2 P78540 3/20 0.33
▸ ACLY P53396 1/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31

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 SCHEMBL25352359 0.98 FFAR1 (0.34) FFAR1CPT2TDP1ARG1ARG2
SCHEMBL31040387 0.92 GRM4 (0.33) ARG1ARG2GRM4
Hydrochloric Acid SCHEMBL25353146 0.91 GRM4 (0.32) ARG1ARG2GRM4
SCHEMBL31040424 0.88 GRM4 (0.38) ARG1ARG2GRM4
SCHEMBL31040417 0.82 KDM4C (0.41) FFAR1CPT2TDP1
SCHEMBL31040437 0.82 REN (0.33) —
Hydrochloric Acid SCHEMBL25353052 0.80 REN (0.33) —
SCHEMBL31040434 0.80 KDM4C (0.36) —
Hydrochloric Acid SCHEMBL10617473 0.79 CA12 (0.38) ARG1ARG2GRM4
SCHEMBL31040418 0.74 POLB (0.37) TDP1GRM4

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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