SCHEMBL28139210

SCHEMBL28139210

CCS(=O)(=O)N1CCC(CCc2cc(C(=O)O)cc(C(=O)O)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 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
SCHEMBL28133767 0.81 GPR84 (0.38) —
SCHEMBL27975645 0.78 DAO (0.45) KMT2AL3MBTL1
SCHEMBL27726114 0.77 ALDH1A1 (0.50) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL28138572 0.76 DAO (0.48) KMT2AL3MBTL1
SCHEMBL3446003 0.71 BACE1 (0.55) —
SCHEMBL14811147 0.70 MRGPRX4 (0.40) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL4508419 0.69 ALDH1A1 (0.48) L3MBTL1LMNATP53MAPTHDAC3
SCHEMBL24090300 0.69 MEN1 (0.66) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL27712207 0.68 MCL1 (0.41) KMT2AL3MBTL1
SCHEMBL27692114 0.67 LNPEP (0.37) —

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-107074814-A Glucose transport inhibitor 拜耳制药股份公司 2017-08-18 — — CN disclosed
CN-106687455-A Glucose transport inhibitors 拜耳制药股份公司 2017-05-17 — — CN disclosed
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