SCHEMBL25894179

SCHEMBL25894179

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ GAA P10253 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 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
SCHEMBL25894262 0.83 POLB (0.44) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL25893944 0.77 ALDH1A1 (0.58) KMT2ASMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL19134244 0.74 NPSR1 (0.50) RAB9AKMT2ALMNAMEN1
SCHEMBL20246743 0.73 SMN1; SMN2 (0.48) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10085163 0.72 NPSR1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10078381 0.72 NPSR1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL31532555 0.72 NPSR1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL21340181 0.72 NPSR1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL18613033 0.72 NPSR1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14110289 0.72 NPSR1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1

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
Send feedback