SCHEMBL9561825

SCHEMBL9561825

COc1cc2ccccc2cc1C(=O)O.[Zn]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.96
HPGD P15428 3/20 0.96
KDM4E B2RXH2 3/20 0.96
HSD17B10 Q99714 1/20 0.68
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
NPC1 O15118 3/20 0.56
POLB P06746 4/20 0.55
RAB9A P51151 3/20 0.55
AHR P35869 1/20 0.55
CASP3 P42574 1/20 0.54
ATM Q13315 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 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
SCHEMBL617928 0.98 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EHSD17B10KMT2A
Hydrochloric Acid SCHEMBL7287472 0.96 ALDH1A1 (0.96) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL22149604 0.86 KDM4E (0.78) ALDH1A1HPGDKDM4EHSD17B10CA12
SCHEMBL407744 0.83 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL31605176 0.83 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL978583 0.82 KDM4E (0.72) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL536584 0.82 KDM4E (0.67) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL18288032 0.82 KDM4E (0.72) ALDH1A1HPGDKDM4EHSD17B10KMT2A
Zinc Ion SCHEMBL9561820 0.81 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL978576 0.81 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EHSD17B10KMT2A

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
JP-5286252-A None JP disclosed
JP-H05286252-A THERMAL RECORDING MATERIAL RICOH CO LTD 1993-11-02 JP disclosed