SCHEMBL28468939

SCHEMBL28468939

CCCC(OCCC(O)CCNC(=O)O)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CASR P41180 3/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL524569 0.82 SLC6A11 (0.47) KIF11CNR1CNR2CASRNPC1
SCHEMBL4421178 0.70 HDAC6 (0.47) ALDH1A1HPGDSMN1; SMN2KMT2AHDAC3
SCHEMBL3700787 0.70 L3MBTL1 (0.47) CASRNPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14315813 0.67 ALDH1A1 (0.50) CNR1ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL3689532 0.67 MTNR1B (0.43) KIF11NPC1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL14762445 0.65 SMN1; SMN2 (0.45) KIF11CASRNPC1ALDH1A1HPGD
SCHEMBL3695475 0.65 SLC6A11 (0.43) KIF11KMT2A
SCHEMBL3698291 0.65 SLC6A11 (0.43) KIF11KMT2A
SCHEMBL21596070 0.65 MTNR1A (0.75) NPC1ALDH1A1SMN1; SMN2MAPTMTNR1A
SCHEMBL3357892 0.65 CASR (0.54) CASRNPC1ALDH1A1HPGDSMN1; SMN2

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-111909020-A Lipids and compositions for delivery of therapeutic agents 阿布特斯生物制药公司 2020-11-10 — — CN disclosed
CN-111808084-A Novel lipids and compositions for delivery of therapeutic agents 阿布特斯生物制药公司 2020-10-23 — — CN disclosed
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