SCHEMBL9748714

SCHEMBL9748714

O=C(c1cccc(O)c1)C(O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
HPGDS O60760 3/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PARP1 P09874 1/20 0.44
GRIA2 P42262 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
NOS2 P35228 1/20 0.42
CTRB1 P17538 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9748709 0.90 MDM2 (0.50) MDM2CA12CA1CA2CA6
SCHEMBL26065 0.84 MDM2 (0.68) MDM2ALDH1A1CTRB1CYP1A2MAPT
SCHEMBL10830284 0.83 MDM2 (0.49) MDM2KDM4EALDH1A1PARP1MEN1
SCHEMBL9748480 0.81 NR4A2 (0.67) ALDH1A1MEN1KMT2A
SCHEMBL2976486 0.80 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL11093598 0.78 CA12 (0.50) CA12CA1CA2CA6CA9
Hydrochloric Acid SCHEMBL7788543 0.78 HPGDS (0.52) MDM2CA12CA1CA2CA6
SCHEMBL28565188 0.77 CA12 (0.50) CA12CA1CA2CA6CA9
SCHEMBL7162983 0.77 NPC1 (0.55) MDM2CA12CA1CA2CA6
SCHEMBL7114759 0.77 NPC1 (0.55) MDM2CA12CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120874-A Process for the preparation of 5-hydroxydiprafenone and its acid addition salts HELOPHARM W. PETRIK GMBH & CO. KG (DE) 1992-06-09 US claimed
EP-0283540-B1 PROCESS FOR THE PREPARATION OF 5-HYDROXYDIPRAPHENONE AND ITS SALTS WITH ACIDS Helopharm W. Petrik GmbH & Co.KG. (DE) 1991-09-18 EP claimed
US-5120874-A Process for the preparation of 5-hydroxydiprafenone and its acid addition salts HELOPHARM W. PETRIK GMBH & CO. KG (DE) 1992-06-09 US disclosed