SCHEMBL28032595

SCHEMBL28032595

O=C(O)Cc1cccc2cccc-2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.63
▸ GAA P10253 2/20 0.63
▸ TSHR P16473 2/20 0.63
▸ ABCC4 O15439 1/20 0.63
▸ PTGS1 P23219 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ GRIN2D O15399 1/20 0.63
▸ GRIN3B O60391 1/20 0.63
▸ GRIN1 Q05586 1/20 0.63
▸ GRIN2A Q12879 1/20 0.63
▸ GRIN2B Q13224 1/20 0.63
▸ GRIN2C Q14957 1/20 0.63
▸ GRIN3A Q8TCU5 1/20 0.63
▸ AKR1B1 P15121 1/20 0.60
▸ PTGS2 P35354 1/20 0.58
▸ ENPP2 Q13822 2/20 0.56
▸ BCL2 P10415 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.53
▸ PLA2G10 O15496 1/20 0.53
▸ PLA2G2A P14555 1/20 0.53

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
SCHEMBL538397 0.98 ABCC4 (0.67) LMNAGAATSHRABCC4PTGS1
SCHEMBL9251496 0.94 ABCC4 (0.74) LMNAGAATSHRABCC4PTGS1
Methyl Alcohol SCHEMBL7855784 0.94 ABCC4 (0.62) LMNAGAATSHRABCC4PTGS1
SCHEMBL3417462 0.91 GRIN2D (0.59) LMNAGAATSHRABCC4PTGS1
SCHEMBL7030142 0.90 ACMSD (0.58) LMNAGAATSHRABCC4PTGS1
SCHEMBL23296113 0.89 GRIN2D (0.57) LMNAGAATSHRABCC4PTGS1
SCHEMBL28373247 0.89 GRIN2D (0.54) LMNAGAATSHRABCC4PTGS1
SCHEMBL5269627 0.89 GRIN2D (0.57) LMNAGAATSHRABCC4PTGS1
SCHEMBL4213065 0.89 SHMT1 (0.62) LMNAGAATSHRABCC4PTGS1
SCHEMBL3936298 0.89 PRKCI (0.64) LMNAGAATSHRABCC4PTGS1

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-105026403-A Tetracyclic bromodomain inhibitors ABBVIE INC 2015-11-04 — — CN disclosed
Send feedback