SCHEMBL11567426

SCHEMBL11567426

C=CCNCCc1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ FOLH1 Q04609 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC16A3 O15427 2/20 0.40
▸ USP2 O75604 1/20 0.40

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
Phthalic Acid SCHEMBL11333396 0.81 ALDH1A1 (0.56) MAPTALDH1A1KDM4EKMT2AHTT
SCHEMBL13477549 0.79 FOLH1 (0.56) MAPTFOLH1ALDH1A1HIF1AHPGD
SCHEMBL6600791 0.79 FOLH1 (0.56) FOLH1ALDH1A1HTTHIF1ATSHR
SCHEMBL4430320 0.78 FOLH1 (0.59) MAPTFOLH1ALDH1A1KDM4EKMT2A
SCHEMBL11525175 0.76 FOLH1 (0.53) FOLH1ALDH1A1HTTTSHRSLC16A3
SCHEMBL89060 0.76 FOLH1 (0.55) MAPTFOLH1ALDH1A1KDM4EKMT2A
Benzene SCHEMBL27083018 0.76 FOLH1 (0.55) MAPTFOLH1ALDH1A1KDM4EKMT2A
Ethylene SCHEMBL18893737 0.75 FOLH1 (0.70) MAPTFOLH1ALDH1A1KDM4EKMT2A
SCHEMBL70392 0.75 FOLH1 (0.76) MAPTFOLH1ALDH1A1KDM4EGAA
SCHEMBL30365583 0.75 FOLH1 (0.76) MAPTFOLH1ALDH1A1KDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909044-A Synthesis method of 2- (alkylamino) ethyl benzoate compound 南京爱德程医药科技有限公司 2020-11-10 — — CN disclosed
US-4132774-A SUNSCREEN AGENTS GAF CORPORATION (US) 1979-01-02 — — US disclosed
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