SCHEMBL11322640

SCHEMBL11322640

O=C(O)c1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 11/20 0.80
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
TP53 P04637 1/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
PTGER1 P34995 1/20 0.70
PTGER3 P43115 1/20 0.70
PTGER2 P43116 1/20 0.70
KMT2A Q03164 1/20 0.70
PTGDR Q13258 1/20 0.70
HSD17B10 Q99714 1/20 0.70
AKR1B1 P15121 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
TBK1 Q9UHD2 1/20 0.50
LTB4R Q15722 1/20 0.49
PTGER4 P35408 1/20 0.49
MAOA P21397 1/20 0.47

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
SCHEMBL68189 0.93 TTR (0.83) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL10623602 0.93 TTR (0.83) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11857659 0.92 NPC1 (0.71) TTRKDM4EMEN1ALDH1A1TP53
Hydrochloric Acid SCHEMBL11749391 0.91 TTR (0.81) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL10453744 0.91 TTR (0.72) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL8949782 0.91 TTR (0.70) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL11860391 0.90 TTR (0.74) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL4510869 0.89 TTR (0.70) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL2628175 0.89 TTR (0.70) TTRKDM4EMEN1ALDH1A1TP53
SCHEMBL4509568 0.89 TTR (0.70) TTRKDM4EMEN1ALDH1A1TP53

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
CN-111269419-A Polyimide applicable to FOLED substrate and preparation method thereof 湖南工业大学 2020-06-12 CN disclosed
US-4250182-A Pharmaceutical composition containing acridone compounds and method of using same BURROUGHS WELLCOME CO. (US) 1981-02-10 US disclosed