SCHEMBL29237448

SCHEMBL29237448

CCOC(=O)CCc1ncc(CO)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP4F2 P78329 3/20 0.47
▸ CYP4A11 Q02928 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL25221249 0.88 SMN1; SMN2 (0.48) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL29237700 0.87 SMN1; SMN2 (0.47) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL18834525 0.83 SMN1; SMN2 (0.44) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL16028881 0.83 CYP4F2 (0.45) SMN1; SMN2CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL25625452 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL29237568 0.81 CYP4F2 (0.43) SMN1; SMN2CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL11610163 0.79 SMN1; SMN2 (0.45) SMN1; SMN2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL29237600 0.78 CYP4F2 (0.41) SMN1; SMN2CYP4F2CYP4A11ALDH1A1L3MBTL1
SCHEMBL11608097 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL29237531 0.77 CYP4F2 (0.40) SMN1; SMN2CYP4F2CYP4A11ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
Send feedback