SCHEMBL28138572

SCHEMBL28138572

O=C(O)c1cc(CCC2CCCCC2)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.48
▸ PPM1D O15297 2/20 0.45
▸ KDM4C Q9H3R0 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TBK1 Q9UHD2 3/20 0.40
▸ KMO O15229 1/20 0.39
▸ BRS3 P32247 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ MCL1 Q07820 1/20 0.37

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
SCHEMBL27975645 0.98 DAO (0.45) DAOPPM1DKDM4CKMT2ATHRA
SCHEMBL28133767 0.91 GPR84 (0.38) DAOPPM1DTBK1
SCHEMBL27712207 0.90 MCL1 (0.41) DAOPPM1DKDM4CKMT2ATHRA
SCHEMBL19328863 0.79 DAO (0.48) DAOPPM1DTHRATHRBRAB9A
SCHEMBL4649265 0.78 DAO (0.37) DAOPPM1DKDM4CEPHX2
SCHEMBL14811147 0.76 MRGPRX4 (0.40) PPM1DKMT2ARAB9A
SCHEMBL28139210 0.76 CYP2C19 (0.43) KMT2AL3MBTL1
SCHEMBL27692114 0.76 LNPEP (0.37) MCL1
SCHEMBL2197741 0.75 PPM1D (0.53) PPM1DKDM4CKMOMCL1
SCHEMBL16749638 0.74 CA12 (0.48) DAOKMT2A

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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