Allylamine

Allylamine

SCHEMBL29216101

C=CCN.O=Cc1cccc(C=O)c1C(=O)O.O=Cc1cccc(C=O)c1C(=O)O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ ERN1 O75460 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ TRIM24 O15164 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ UNG P13051 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ KAT2B Q92831 1/20 0.34

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
SCHEMBL1646544 0.73 ALDH1A1 (0.46) ERN1MEN1LMNATHRBBLM
SCHEMBL20975456 0.73 CA1 (0.64) ERN1MEN1LMNATHRBBLM
SCHEMBL30355310 0.73 ALDH1A1 (0.46) ERN1MEN1LMNATHRBBLM
SCHEMBL28224443 0.73 GABRA1 (0.42) PTGDR2ERN1EP300KAT2BKAT5
SCHEMBL24861066 0.72 ERN1 (0.57) ERN1MEN1LMNATHRBBLM
SCHEMBL548757 0.72 LMNA (0.46) PTGDR2ERN1MEN1LMNATHRB
SCHEMBL28395047 0.72 ALDH1A1 (0.48) ERN1MEN1LMNATHRBBLM
SCHEMBL2320182 0.72 ALDH1A1 (0.54) ERN1MEN1LMNATHRBBLM
Benzoic Acid SCHEMBL971091 0.71 TSHR (0.61) MEN1LMNABLMKMT2ATDP1
Phthalic Acid SCHEMBL28549489 0.71 ALDH1A1 (0.61) KMT2ACA1CA2CA12CA7

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-118047906-A Preparation process and application of bio-based environment-friendly antibacterial gel 广东黄金海岸医药生物科技有限公司 2024-05-17 — — CN disclosed
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