SCHEMBL25894262

SCHEMBL25894262

C=C/C=C\C(=C)SCC(=O)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 4/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL25894179 0.83 NPC1 (0.43) POLBSMN1; SMN2GAACYP3A4CYP2C9
SCHEMBL20246743 0.73 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL24826264 0.72 EPHX1 (0.49) SMN1; SMN2GAACYP3A4NPC1RAB9A
SCHEMBL31532555 0.72 NPSR1 (0.53) POLBSMN1; SMN2GAANPC1RAB9A
SCHEMBL21340181 0.72 NPSR1 (0.53) POLBSMN1; SMN2GAANPC1RAB9A
SCHEMBL10085163 0.72 NPSR1 (0.53) POLBSMN1; SMN2GAANPC1RAB9A
SCHEMBL18613033 0.72 NPSR1 (0.53) POLBSMN1; SMN2GAANPC1RAB9A
SCHEMBL10078381 0.72 NPSR1 (0.53) POLBSMN1; SMN2GAANPC1RAB9A
SCHEMBL14110289 0.72 NPSR1 (0.53) POLBSMN1; SMN2GAANPC1RAB9A
SCHEMBL3075216 0.66 EPHX1 (0.68) SMN1; SMN2CYP3A4NPC1RAB9AKMT2A

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
EP-2968347-B1 MODULATORS OF THE EIF2ALPHA PATHWAY UNIV CALIFORNIA (US) 2023-08-02 — — EP disclosed
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