SCHEMBL7356491

SCHEMBL7356491

COCc1ccoc1CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKCE Q02156 2/20 0.33
MYLK Q15746 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRKCG P05129 1/20 0.33
MAPT P10636 1/20 0.33
PRKCA P17252 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B3 P37058 1/20 0.33
TP53 P04637 1/20 0.32
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30

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
SCHEMBL2873010 0.85 TDP1 (0.33) TDP1POLBL3MBTL1PRKCEMYLK
Methoxymethane SCHEMBL28440091 0.83 PDE4A (0.33) TP53
SCHEMBL39411 0.78
SCHEMBL11245023 0.77 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8385405 0.77
SCHEMBL28027211 0.77 CYP1A2 (0.34) TP53
Ether SCHEMBL29157023 0.74 CYP4F2 (0.31)
SCHEMBL19897747 0.72
SCHEMBL7290584 0.72 ALDH1A1 (0.39) TDP1POLBL3MBTL1MEN1ALDH1A1
SCHEMBL11669246 0.72 TUBB4A (0.30) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO disclosed