SCHEMBL6044337

SCHEMBL6044337

Cc1ccc(C(=O)Oc2ccc3ccc(=O)oc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 1.00
GBA1 P04062 2/20 1.00
CA12 O43570 6/20 0.75
CA9 Q16790 6/20 0.75
POLB P06746 3/20 0.75
MEN1 O00255 2/20 0.69
KDM4E B2RXH2 6/20 0.65
GLA P06280 4/20 0.65
GAA P10253 4/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 3/20 0.57
CA1 P00915 1/20 0.55
CA3 P07451 1/20 0.55
AKR1B1 P15121 1/20 0.55
HPGD P15428 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55

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
SCHEMBL6743424 0.87 KMT2A (0.78) KMT2AGBA1CA12CA9POLB
SCHEMBL15335372 0.86 KMT2A (1.00) KMT2AGBA1CA12CA9POLB
SCHEMBL6741793 0.85 GBA1 (0.79) KMT2AGBA1CA12CA9POLB
SCHEMBL30186490 0.85 KMT2A (0.74) KMT2AGBA1CA12CA9POLB
SCHEMBL23731512 0.85 KMT2A (0.74) KMT2AGBA1CA12CA9POLB
SCHEMBL18288754 0.83 KMT2A (0.70) KMT2AGBA1CA12CA9POLB
SCHEMBL9006755 0.83 KMT2A (0.70) KMT2AGBA1CA12CA9POLB
SCHEMBL21194993 0.82 KMT2A (0.70) KMT2AGBA1CA12CA9POLB
SCHEMBL12633719 0.82 KMT2A (0.68) KMT2AGBA1MEN1GAATDP1
SCHEMBL13384905 0.81 KMT2A (0.67) KMT2AGBA1CA12CA9POLB

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
EP-0839185-B1 SCREENING METHODS FOR ENZYMES AND ENZYME KITS DIVERSA CORP (US) 2006-11-22 EP disclosed
US-20020058254-A1 Screening methods for enzymes and enzyme kits DIVERSA CORPORATION 2002-05-16 US disclosed