SCHEMBL27975645

SCHEMBL27975645

O=C(O)c1cc(CCC2CCCC2)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 3/20 0.45
▸ PPM1D O15297 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.39
▸ TBK1 Q9UHD2 4/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ BRS3 P32247 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ EPHX1 P07099 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
SCHEMBL28138572 0.98 DAO (0.48) DAOPPM1DKDM4CTBK1THRA
SCHEMBL28133767 0.93 GPR84 (0.38) DAOPPM1DTBK1
SCHEMBL27712207 0.88 MCL1 (0.41) DAOPPM1DKDM4CTHRATHRB
SCHEMBL14811147 0.78 MRGPRX4 (0.40) PPM1DRAB9AKMT2A
SCHEMBL28139210 0.78 CYP2C19 (0.43) L3MBTL1KMT2A
SCHEMBL19328863 0.77 DAO (0.48) DAOPPM1DTBK1THRATHRB
SCHEMBL27692114 0.77 LNPEP (0.37) —
SCHEMBL16749638 0.76 CA12 (0.48) DAOKMT2A
SCHEMBL27692208 0.76 LNPEP (0.36) PPM1D
SCHEMBL6565816 0.76 GLRA3 (0.41) DAOPPM1DTBK1THRATHRB

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
CN-103958508-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC 2014-07-30 — — CN disclosed
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